data_1onv_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 1onv _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 453' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.8 0.333 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.03 130.8 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 13.2 t -138.71 156.89 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.73 -39.18 87.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.89 -38.55 82.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.91 -45.61 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.6 -46.42 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.1 -32.52 73.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -42.69 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.3 m-85 -66.07 -44.99 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 74.6 mt -65.31 -36.38 83.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.4 p -67.99 -33.76 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.13 -52.21 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.11 138.78 13.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.68 135.36 48.45 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.483 2.122 . . . . 0.0 112.17 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 82.6 mtp -136.71 167.27 21.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.3 p -105.62 164.77 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.424 ' CG2' ' CE2' ' A' ' 513' ' ' PHE . 23.2 p -58.16 -43.01 87.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 -40.83 96.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -67.62 -40.34 84.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.58 -44.64 93.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.34 -36.65 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.8 -30.27 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -57.21 -38.95 74.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.184 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.11 30.39 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.077 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -63.91 -49.07 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -169.75 33.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -64.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -130.78 -44.44 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 26.9 p -56.15 118.74 4.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -84.64 54.94 4.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.58 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 484' ' ' LEU . 3.0 mm? -104.42 145.07 30.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 t -59.81 153.63 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 20.5 m -57.9 -41.8 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -71.07 -39.92 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -64.98 -42.44 94.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 6.5 m -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.99 -39.7 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.5 -44.05 93.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 30.1 t -63.56 -53.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.79 -30.81 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.82 76.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.222 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.75 -38.12 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -50.13 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.47 ' O ' ' CD2' ' B' ' 957' ' ' LEU . 52.5 mt -64.85 -49.18 71.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.304 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' B' ' 960' ' ' LEU . 4.4 tptm -47.66 -40.36 19.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 111.279 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -80.32 -15.84 55.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 0.0 111.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.427 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 28.4 tp -56.35 -37.26 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.461 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 8.9 p30 44.65 49.17 5.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.707 0.289 . . . . 0.0 111.33 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 71.6 Cg_endo -75.83 -168.39 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.43 2.087 . . . . 0.0 112.405 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -109.06 155.96 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -114.0 137.55 51.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -130.95 145.96 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.7 mtm -87.94 101.4 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.6 mt -118.42 121.72 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 25.3 t30 57.09 42.68 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.33 36.43 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.81 156.12 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 23.7 ptm -87.34 130.79 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -129.8 162.91 27.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.452 ' CZ ' ' CE ' ' B' ' 961' ' ' MET . 97.0 m-85 -106.9 131.61 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.8 p -133.54 147.09 51.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 19.4 mt -132.88 136.43 46.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -127.04 94.93 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.867 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.29 94.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.53 -40.73 92.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.66 -30.31 71.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 28.1 ttt -56.77 -35.82 69.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.99 -28.44 24.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.301 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -57.44 -36.28 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.09 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.48 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.139 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 20.8 tp -65.76 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.41 -33.72 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.48 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -71.13 -61.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 497' ' ' LEU . 27.2 mt -60.46 -19.62 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.333 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -55.37 -27.87 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.341 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -68.02 -63.39 1.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 498' ' ' LYS . 3.9 pp -56.65 -27.56 58.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.129 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 961' ' ' MET . . . . . 0.452 ' CE ' ' CZ ' ' A' ' 513' ' ' PHE . 43.9 mtt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.3 134.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 42.6 m -97.32 137.65 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.52 -35.43 74.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.64 -38.0 80.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.35 -48.86 76.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 25.7 t -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.45 -37.5 81.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -57.68 -40.53 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 72.7 m-85 -66.55 -47.72 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.04 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.62 -39.28 84.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 17.3 p -66.65 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -77.27 -50.01 13.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.08 145.57 25.07 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.36 122.13 7.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.0 112.339 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 66.5 mtm -136.33 160.1 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 22.2 p -87.49 167.06 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.421 HG21 ' CE1' ' A' ' 513' ' ' PHE . 32.7 p -54.89 -44.04 73.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -57.28 -40.45 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.94 -41.37 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.35 -43.48 85.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.42 -44.84 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -54.97 -35.75 64.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -60.69 -38.93 86.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.6 32.87 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -60.16 -44.65 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.62 34.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -61.13 -68.41 0.31 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.57 29.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 70.3 p -78.32 -29.41 47.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 74.28 17.31 79.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.609 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 mt -120.02 144.56 47.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.0 t -65.76 167.17 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 10.2 t -56.83 -40.38 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -69.05 -42.22 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.8 -43.58 83.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 31.6 m -62.27 -44.79 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.2 t -71.36 -33.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.21 -44.17 88.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 31.2 t -73.29 -49.65 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.34 -36.84 85.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.09 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.65 -41.28 68.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.24 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.3 tt -67.63 -44.29 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.095 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.454 ' O ' ' CD2' ' B' ' 957' ' ' LEU . 5.9 mt -72.41 -36.53 68.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -47.63 -45.06 27.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 111.315 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -79.3 -16.0 57.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.401 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.421 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 26.8 tp -55.23 -41.29 71.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.692 0.282 . . . . 0.0 111.645 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.434 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 15.9 t-20 55.04 51.56 7.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 72.0 Cg_endo -76.43 170.55 19.75 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.574 2.182 . . . . 0.0 112.381 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.28 160.78 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -128.32 129.72 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.77 148.46 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 21.9 ttt -88.95 107.67 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . 0.417 ' HB ' ' CE1' ' A' ' 512' ' ' HIS . 33.2 mm -116.61 115.88 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 36.5 t30 55.6 46.49 22.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 61.06 36.61 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -144.64 156.2 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 75.8 mtm -87.64 126.63 35.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.417 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 4.3 m80 -121.23 150.76 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 470' ' ' THR . 81.8 m-85 -107.06 127.57 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 22.7 t -133.03 142.54 48.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.22 141.12 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -114.66 94.98 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.82 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.47 -37.36 87.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.37 -31.43 72.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 36.5 mtp -58.47 -48.47 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.11 -32.65 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -57.53 -50.1 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.67 -31.9 67.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.65 -44.59 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.73 -31.87 67.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.11 88.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.68 -40.66 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 497' ' ' LEU . 10.1 mt -75.48 -24.28 56.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -61.48 -17.35 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.71 -47.79 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 111.291 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' B' ' 957' ' ' LEU . 0.5 OUTLIER -60.35 -35.25 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.93 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.419 HG21 ' CE1' ' A' ' 477' ' ' PHE . 29.2 t -96.91 132.21 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.2 p -124.3 155.08 39.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.89 -41.12 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -61.82 -40.35 94.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.77 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.5 t -67.63 -37.72 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.18 -39.38 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -58.2 -34.88 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -64.44 -42.79 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.69 -37.83 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 15.9 p -61.16 -33.21 73.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -79.35 -61.56 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.0 150.23 41.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.05 129.17 21.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.197 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 76.5 mtp -137.29 158.84 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 1.3 t -101.75 159.41 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.402 ' CG2' ' CD2' ' B' ' 953' ' ' LEU . 35.8 p -55.67 -44.11 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.58 -38.12 71.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -61.08 -37.19 81.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.95 -40.62 87.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.37 -40.05 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.89 -37.04 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -62.12 -39.4 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.419 ' CE1' HG21 ' A' ' 454' ' ' VAL . 96.3 m-85 -87.78 -72.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 58.48 52.54 6.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 11.6 p 55.24 45.36 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.196 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -98.06 118.69 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.42 -160.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.777 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.3 p 72.29 -59.95 0.54 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 106.12 20.87 8.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.643 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 484' ' ' LEU . 3.1 mm? -110.05 134.52 52.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 65.0 p -68.0 167.92 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.7 m -56.68 -41.41 77.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -68.85 -41.48 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.42 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 38.3 m -59.62 -41.21 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 31.6 t -64.85 -35.9 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.04 -45.99 89.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.45 -49.98 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.83 -39.5 94.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.01 89.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -70.76 -40.4 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.5 tt -71.61 -43.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 500' ' ' LEU . 18.0 mt -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.499 ' O ' HD12 ' B' ' 960' ' ' LEU . 12.0 tptm -53.04 -51.13 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.28 -15.54 56.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.796 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.523 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 0.2 OUTLIER -45.65 -27.93 0.89 Allowed 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.21 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.535 ' HA ' ' CD1' ' B' ' 960' ' ' LEU . 0.1 OUTLIER 50.06 48.64 6.26 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.356 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 500' ' ' LEU . 88.7 Cg_endo -83.56 138.2 8.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.29 1.993 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.13 137.73 55.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -84.41 128.45 34.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -141.68 131.61 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.31 124.04 38.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.045 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.0 mt -115.27 119.43 61.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.9 m120 63.25 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -160.12 29.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -135.23 155.33 50.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.6 ttp -86.45 126.4 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -131.57 166.3 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.439 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 79.0 m-85 -119.71 156.12 31.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 85.8 p -146.72 153.78 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.08 127.14 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -97.46 129.74 44.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.922 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.843 0.354 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.95 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.01 -43.44 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.76 -31.08 70.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -37.47 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.06 -51.05 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -58.13 -41.22 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . 0.402 ' CD2' ' CG2' ' A' ' 470' ' ' THR . 9.1 tt -67.92 -40.12 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.04 -38.72 92.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -55.37 -27.02 44.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.385 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -80.16 -59.88 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.19 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.504 ' CD1' HD12 ' B' ' 960' ' ' LEU . 10.8 tp -65.71 -31.41 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.2 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -57.72 -20.22 32.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.206 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.535 ' CD1' ' HA ' ' A' ' 501' ' ' ASN . 11.7 mt -55.14 -39.56 69.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.91 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.775 0.321 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.5 t -101.66 129.71 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 29.2 m -130.49 144.61 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.11 -36.2 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.46 -39.1 82.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.84 94.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.94 -43.65 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.29 -36.42 75.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -57.75 -42.67 84.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -68.1 -45.15 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.2 mt -66.54 -35.49 80.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -65.96 -31.91 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -77.46 -56.96 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.09 149.06 37.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.25 132.68 21.38 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.641 2.227 . . . . 0.0 112.276 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 62.4 mtm -141.04 155.16 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 11.1 t -84.82 167.81 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.413 HG23 ' CE2' ' A' ' 513' ' ' PHE . 0.5 OUTLIER -57.97 -38.04 75.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -59.46 -42.75 92.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.08 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.75 -41.61 91.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 26.8 mt -69.32 -31.55 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -56.08 -26.81 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 75.8 mmtt -57.26 -36.74 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.026 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.417 ' CD1' ' HD2' ' A' ' 480' ' ' LYS . 87.0 m-85 -157.15 47.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -72.34 -42.7 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 57.1 p -126.96 27.73 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . 0.417 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 61.7 mttp -98.07 148.47 23.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 83.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 36.1 p -112.33 25.47 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.034 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 77.15 -60.89 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 mt -80.2 144.69 32.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 53.1 p -67.3 163.47 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.7 m -58.61 -38.14 77.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -67.14 -47.37 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.1 -32.28 73.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 45.6 m -57.69 -41.19 81.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.41 -41.81 93.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -60.74 -46.56 89.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.87 -46.28 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.34 -43.55 98.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.52 71.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.281 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -60.83 -41.08 95.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.446 HG21 HD13 ' A' ' 496' ' ' ILE . 0.9 OUTLIER -78.32 -42.11 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 121.041 0.448 . . . . 0.0 110.648 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.421 HD21 HG23 ' A' ' 496' ' ' ILE . 3.5 mm? -68.45 -35.07 77.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.294 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.446 ' HA ' ' CD2' ' B' ' 957' ' ' LEU . 14.4 tptt -47.94 -55.2 10.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.567 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.69 -15.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.072 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 32.3 tp -45.36 -56.09 5.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.857 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.444 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 23.4 t-20 55.95 51.02 5.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 72.0 Cg_endo -76.3 158.02 37.17 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.675 2.25 . . . . 0.0 112.181 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -57.93 132.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.706 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -97.32 99.02 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.197 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -107.26 148.11 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 2.8 tpp -96.71 108.96 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 33.8 mm -122.07 121.88 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 56.93 43.57 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.88 29.8 19.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -134.86 149.39 50.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 65.7 mtt -79.65 112.61 17.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -110.79 144.65 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.434 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 76.9 m-85 -105.71 136.89 44.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 10.9 t -142.65 141.39 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 17.6 mt -122.68 137.68 54.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -118.97 94.96 4.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.96 92.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.46 -39.75 88.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.31 -37.37 87.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 70.6 mtm -61.0 -38.17 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -75.68 -46.44 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.51 -36.77 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.057 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.07 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.45 -35.14 77.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.74 -55.41 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.145 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.93 61.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.26 -39.09 72.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.209 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.464 ' N ' HD23 ' B' ' 957' ' ' LEU . 0.4 OUTLIER -88.96 -10.09 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.372 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.2 -32.15 54.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -67.98 -31.53 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.446 HD13 HD21 ' B' ' 957' ' ' LEU . 32.4 mt -58.49 -34.15 70.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 36.0 ttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.85 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.828 0.347 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.66 135.15 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 13.3 t -135.5 152.0 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.61 -39.6 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.45 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 32.4 t -65.31 -41.71 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -59.13 -40.56 85.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -60.64 -40.74 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.65 -45.57 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.29 -35.44 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -64.36 -31.15 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -81.75 -59.67 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -146.02 150.07 40.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.65 138.42 45.33 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 112.268 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 89.6 mtp -132.61 150.87 52.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.454 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 43.7 p -91.37 165.45 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.442 ' CG2' ' CE1' ' A' ' 513' ' ' PHE . 35.4 p -57.53 -44.76 85.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -60.17 -44.34 95.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -59.03 -37.66 77.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.63 -42.26 87.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -40.69 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -59.45 -34.72 72.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.804 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -59.55 -34.82 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.63 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 480' ' ' LYS . 95.6 m-85 -130.1 39.14 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -55.74 -43.03 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.18 87.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . 0.412 ' HD3' ' CD2' ' A' ' 477' ' ' PHE . 13.1 mtpt -124.04 165.93 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.51 65.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.3 p -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 106.71 -26.5 19.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.66 147.61 27.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.3 m -59.5 160.31 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.7 m -57.69 -40.03 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.52 -40.02 88.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.11 -36.02 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 18.7 m -59.11 -41.37 87.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 32.3 t -62.93 -38.4 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -58.97 -44.6 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 37.8 t -71.89 -48.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.72 -34.18 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.59 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -71.06 -37.39 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.6 tt -72.0 -44.82 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.044 0.45 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.494 ' O ' ' CD2' ' B' ' 957' ' ' LEU . 18.3 mt -71.56 -43.92 65.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.368 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.498 ' O ' ' CD1' ' B' ' 960' ' ' LEU . 2.2 tmtt? -47.18 -44.32 21.98 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.687 0.279 . . . . 0.0 111.454 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -79.79 -15.63 57.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.837 0.351 . . . . 0.0 111.196 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 17.8 tp -54.6 -41.2 69.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.645 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 38.0 m-80 60.29 49.6 2.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.977 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.645 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 7.9 Cg_exo -71.22 143.5 44.08 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.186 1.924 . . . . 0.0 112.106 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -61.5 132.43 53.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.437 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -96.49 120.68 37.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 111.096 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -134.04 149.68 51.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.3 ptp -101.45 108.71 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -118.98 127.53 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.82 42.52 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 59.02 35.46 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -143.83 153.39 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -85.86 124.63 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.454 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 67.6 m80 -127.76 159.15 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.442 ' CE1' ' CG2' ' A' ' 470' ' ' THR . 93.1 m-85 -110.12 136.71 48.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.773 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 31.4 t -131.93 150.26 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.47 113.28 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -89.48 132.22 35.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.851 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.824 0.345 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -73.09 -39.08 66.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.56 -38.12 80.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -65.47 -41.99 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 35.5 mtm -68.93 -38.68 79.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.31 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -58.46 -46.67 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.999 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.47 -44.79 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -72.8 -35.83 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.87 -30.79 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -51.36 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 497' ' ' LEU . 31.2 mt -63.99 -29.58 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.121 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -57.21 -26.6 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -67.82 -35.69 79.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 498' ' ' LYS . 8.1 mt -64.81 -26.91 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.076 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 24.5 t -103.87 133.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 58.2 m -123.48 140.87 52.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.21 -36.49 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.56 -40.85 88.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.27 92.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.88 -42.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.56 -40.89 88.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 34.9 mtm105 -59.24 -39.42 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -68.73 -46.42 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 44.4 mt -67.01 -36.82 82.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.0 p -64.26 -30.84 71.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.3 tpt85 -73.93 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 145.67 25.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.77 133.52 57.81 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.512 2.142 . . . . 0.0 112.202 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 85.2 mtp -130.34 150.41 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.439 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.4 p -96.68 169.0 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 67.9 p -57.98 -47.83 81.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -63.72 -34.77 78.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -58.98 -36.6 75.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.77 -46.27 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.29 -35.7 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.22 -41.36 92.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -34.86 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.751 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.81 72.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -75.39 -177.99 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.1 t -55.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -132.31 -171.27 2.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.28 65.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 67.4 p -105.65 -26.08 11.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.3 -25.7 26.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.79 140.33 37.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.771 0.319 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.6 m -65.41 160.33 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 19.4 m -58.34 -38.25 76.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.45 -40.91 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.97 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 40.2 m -61.43 -42.48 98.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.31 -43.43 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.36 -48.77 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.13 -33.44 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.39 82.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -67.22 -36.72 82.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -47.99 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.66 -35.58 76.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' B' ' 960' ' ' LEU . 0.1 OUTLIER -51.61 -55.14 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.281 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -73.58 -15.86 61.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.301 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.413 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 18.9 tp -48.42 -37.94 18.4 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.46 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 22.5 t30 60.16 52.52 3.31 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.434 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 94.3 Cg_endo -78.92 159.97 27.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.17 130.32 37.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.705 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -92.27 124.13 36.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -128.29 148.04 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -91.89 97.51 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 507' ' ' ILE . 44.2 mt -118.71 121.57 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 57.95 41.96 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 58.91 37.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -149.49 141.72 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -75.66 124.23 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.439 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 62.9 m80 -121.67 143.3 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.434 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 87.5 m-85 -101.74 129.04 47.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.1 t -143.43 140.48 30.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 18.1 mt -114.29 138.99 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -124.16 94.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.888 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.849 0.357 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.96 -42.25 90.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.13 -38.48 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.99 -36.79 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.98 -40.77 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.51 -29.5 24.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -58.6 -43.52 89.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.1 72.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.09 -44.67 83.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.79 -38.98 90.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.84 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.72 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . . . . . . . . . 2.5 mt -62.93 -24.07 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.966 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -54.48 -31.91 56.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.969 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -68.01 -44.52 76.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.3 OUTLIER -72.82 -37.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.619 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 15.6 ptp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.436 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.858 0.361 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.89 131.71 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 12.7 t -137.34 157.63 46.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.83 -38.27 87.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -59.09 -42.69 91.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.57 93.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.72 -46.11 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.009 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -59.27 -38.78 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.413 ' CZ ' ' HE2' ' A' ' 476' ' ' LYS . 23.1 m-85 -70.34 -44.8 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.98 -34.74 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.2 p -61.7 -24.89 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -80.76 -65.12 1.05 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 150.05 40.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.27 135.57 65.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.227 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 90.2 mtp -134.23 145.07 48.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.453 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 42.2 p -90.62 161.53 15.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 42.1 p -58.05 -45.95 86.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -60.93 -43.04 99.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.09 -38.94 92.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.71 -41.07 88.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -40.91 96.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.36 -30.09 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 477' ' ' PHE . 36.6 tttp -58.0 -36.5 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 74.4 m-85 -133.19 30.44 3.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -68.34 -46.38 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.099 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 53.2 p -133.51 26.07 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -79.83 148.97 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -61.88 84.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 43.8 p -116.02 -24.21 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.8 -22.36 35.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 484' ' ' LEU . 2.8 mm? -96.15 143.78 26.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.4 m -60.53 160.18 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.9 m -57.43 -42.41 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.72 -40.22 72.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.58 -34.92 78.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 28.8 m -58.3 -41.78 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 33.8 t -64.64 -39.58 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -58.23 -44.85 88.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.29 -44.92 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.21 -39.29 93.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.98 92.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -76.98 -44.74 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.2 tt -64.21 -44.64 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.078 0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 6.6 mt -68.98 -31.4 70.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.529 ' O ' HD13 ' B' ' 960' ' ' LEU . 13.0 tptm -47.87 -50.48 26.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -79.96 -15.5 57.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.773 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.411 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 54.1 tp -45.72 -54.0 8.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.505 ' HA ' ' CD1' ' B' ' 960' ' ' LEU . 4.7 m-20 65.61 48.42 0.62 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 73.8 Cg_endo -74.7 175.97 10.41 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.564 2.176 . . . . 0.0 112.212 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.34 160.46 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.744 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -121.38 126.43 49.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.69 131.76 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -84.97 108.05 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -118.76 122.21 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 57.34 43.39 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.07 31.23 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.52 153.25 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' MET . . . . . 0.445 ' CE ' ' CE2' ' A' ' 513' ' ' PHE . 2.8 tmm? -86.83 123.07 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.453 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 68.2 m80 -124.82 146.6 49.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.445 ' CE2' ' CE ' ' A' ' 511' ' ' MET . 31.7 m-85 -103.83 135.43 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.7 t -145.22 143.58 30.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.6 130.21 55.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -93.92 126.84 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.909 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.75 0.31 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.12 85.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.38 -36.54 82.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.25 -42.56 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -75.13 -31.05 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.36 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -59.04 -39.25 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.51 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.83 -41.09 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.41 -43.39 90.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.57 74.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -65.05 -44.42 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' B' ' 960' ' ' LEU . 2.0 mt -77.11 -29.03 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -55.61 -23.41 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.238 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -67.87 -29.93 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.145 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 498' ' ' LYS . 12.5 mt -52.21 -69.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.846 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.413 HG12 ' CG ' ' A' ' 477' ' ' PHE . 5.7 m -72.88 129.68 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.1 p -127.82 150.64 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.09 -40.02 82.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.64 -39.88 89.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.34 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.2 -39.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -59.38 -36.4 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -58.38 -39.72 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 54.3 m-85 -70.05 -46.21 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.6 mt -67.5 -34.4 77.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.0 p -62.52 -31.22 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -77.0 -59.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -146.11 143.09 18.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.774 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.02 137.78 69.69 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 79.9 mtp -135.83 155.59 50.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 23.0 p -87.75 165.12 15.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.422 HG23 ' CE2' ' A' ' 513' ' ' PHE . 0.8 OUTLIER -57.93 -46.89 84.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.21 -39.76 83.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -62.13 -38.59 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.46 -45.71 89.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.8 -33.61 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -58.66 -36.79 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.424 ' HD3' ' CE2' ' A' ' 462' ' ' TYR . 52.2 mttm -59.46 -30.46 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.413 ' CG ' HG12 ' A' ' 454' ' ' VAL . 98.1 m-85 -131.48 78.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -105.27 172.91 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.4 t -56.37 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.89 -76.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -134.36 14.22 3.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.2 p -69.24 -28.58 66.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.86 -26.03 26.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 54.3 mt -100.38 145.97 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.5 m -59.58 164.0 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 86.8 p -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.63 -39.38 73.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.01 -37.17 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 23.2 m -59.5 -39.58 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.43 -34.61 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -58.55 -46.26 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.0 t -72.44 -47.67 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.99 -38.83 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -77.3 -44.82 28.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.3 tt -63.46 -45.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.145 0.498 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.467 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 4.6 mt -66.37 -33.23 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.752 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.559 ' O ' HD12 ' B' ' 960' ' ' LEU . 15.3 tptm -50.4 -48.89 55.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -80.22 -15.52 56.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.671 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.414 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 53.3 tp -45.61 -54.67 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.506 ' HA ' ' CD1' ' B' ' 960' ' ' LEU . 17.1 t-20 66.64 47.65 0.48 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.726 0.298 . . . . 0.0 111.0 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 72.4 Cg_endo -75.44 172.04 17.09 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.528 2.152 . . . . 0.0 112.245 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -96.05 131.34 42.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -99.0 129.71 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -133.26 144.3 49.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.11 102.84 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.5 mt -119.99 124.62 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.71 40.88 26.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.31 30.45 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -141.71 140.33 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 125.96 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -126.71 152.11 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.422 ' CE2' HG23 ' A' ' 470' ' ' THR . 61.4 m-85 -104.46 127.92 52.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.3 t -134.64 134.34 41.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 15.3 mt -115.03 140.22 49.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -125.11 94.91 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.878 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.25 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.82 -45.03 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.4 -33.3 60.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -43.61 98.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.72 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -58.71 -43.24 90.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.61 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.11 -50.39 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -71.97 -36.52 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.323 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -85.18 -43.84 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.447 ' CD2' ' CD1' ' B' ' 960' ' ' LEU . 0.6 OUTLIER -77.11 -24.88 51.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.731 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -58.22 -19.25 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.383 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -67.79 -31.63 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.236 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 498' ' ' LYS . 15.6 mt -54.87 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 59.5 ttp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.932 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.3 t -109.29 128.42 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 22.7 p -129.99 159.83 35.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -63.93 -40.39 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.15 -38.42 86.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.983 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.86 -44.13 90.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.85 -47.46 93.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 26.0 ttm105 -61.81 -36.69 81.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -57.19 -40.55 77.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 79.3 m-85 -69.98 -42.79 72.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.936 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.68 -34.78 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -64.88 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.51 -59.88 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -146.12 146.09 26.86 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.23 132.54 52.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.516 2.144 . . . . 0.0 112.198 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 7.6 ptm -147.28 148.37 31.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 31.1 p -80.08 162.81 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.418 HG23 ' CE2' ' A' ' 513' ' ' PHE . 1.0 OUTLIER -62.44 -33.52 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.985 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -57.28 -42.42 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.53 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.58 -41.88 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.21 -49.48 60.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -64.59 -35.54 81.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -58.3 -40.14 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -126.09 70.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 49.0 p -92.91 15.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.343 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -97.71 -69.68 0.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -176.32 48.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.87 121.97 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -57.93 -22.3 47.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.406 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 tp -79.91 149.28 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 24.4 m -57.89 150.74 19.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 86.2 p -62.41 -36.03 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.3 -44.51 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -66.14 -35.85 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 31.9 m -59.29 -40.41 86.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 27.1 t -60.51 -46.14 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -61.86 -38.88 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.15 -51.57 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.83 -36.27 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.87 79.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.205 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.87 -35.54 76.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -49.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 500' ' ' LEU . 41.0 mt -60.64 -40.34 91.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -53.33 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.57 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -79.13 -15.39 58.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.564 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 497' ' ' LEU . 5.8 tt -45.73 -45.35 14.35 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.501 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 4.5 t30 63.79 54.79 1.67 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.984 0.421 . . . . 0.0 110.626 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' A' ' 500' ' ' LEU . 75.6 Cg_endo -77.06 -168.59 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.814 2.343 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -109.15 156.02 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.6 mtm105 -112.44 131.15 55.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -136.95 133.85 36.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.47 107.87 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . 0.415 ' HB ' ' CE1' ' A' ' 512' ' ' HIS . 36.7 mm -118.72 117.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 56.44 43.81 25.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 60.2 37.87 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -146.89 137.88 23.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 24.0 ptm -66.09 123.33 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.415 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 6.2 m80 -121.98 150.39 42.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.418 ' CE2' HG23 ' A' ' 470' ' ' THR . 41.4 m-85 -98.61 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.2 t -138.76 145.49 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 1.6 mt -127.51 135.7 50.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -111.56 99.62 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.892 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.8 98.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -60.43 -35.4 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 65.9 ttp -80.82 -35.36 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -70.28 -35.4 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -29.33 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.09 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.34 -44.38 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.66 -30.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.056 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.36 -33.66 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -78.27 -54.43 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' A' ' 513' ' ' PHE . 13.0 tp -64.66 -32.98 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.32 -38.26 83.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.01 -41.57 82.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.501 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.4 OUTLIER -59.48 -34.95 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.738 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 17.5 ttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.868 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 29.1 t -99.96 133.45 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.09 155.89 26.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.4 -37.45 80.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -58.26 -51.35 70.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.197 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . 0.406 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -58.33 -36.54 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.2 t -79.08 -39.03 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -62.51 -45.27 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.339 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -56.64 -38.18 71.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.225 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 20.5 m-85 -62.44 -44.87 95.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.065 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.2 mt -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 62.7 p -60.41 -32.73 71.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -80.97 -49.05 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 140.83 15.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 128.81 14.87 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.51 2.14 . . . . 0.0 112.225 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.6 163.7 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.411 HG22 ' CD2' ' A' ' 512' ' ' HIS . 19.0 p -92.25 173.29 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 4.9 p -57.64 -44.3 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -39.38 80.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.1 -37.67 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 71.4 mt -62.15 -41.06 97.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 59.6 mt -67.72 -36.87 81.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.11 -35.98 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -61.38 -33.1 73.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -151.75 66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -89.21 -68.77 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 70.8 p -117.4 32.38 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.734 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -173.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -50.16 -25.35 3.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.525 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 43.6 p -46.95 -31.5 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 63.23 29.3 74.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.646 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 75.6 mt -93.97 130.05 40.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -61.72 163.79 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.2 p -58.02 -38.06 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -76.02 -38.76 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -71.39 -39.87 70.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 37.5 m -60.71 -47.9 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 15.4 m -62.75 -43.47 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -52.19 -35.88 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.275 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.0 -59.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.528 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.3 -44.54 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.394 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.51 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -74.74 -45.02 46.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.4 tt -63.67 -43.53 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 1.2 mt -72.68 -26.96 61.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -48.39 -54.99 11.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 111.443 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -77.42 -15.82 59.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.592 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 25.7 tp -47.78 -36.15 11.19 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.447 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 16.9 t-20 57.45 52.37 5.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 81.6 Cg_endo -77.55 138.22 17.12 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.583 2.188 . . . . 0.0 112.305 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.62 138.71 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -104.3 123.82 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -132.41 146.46 51.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 17.7 ptp -92.79 109.74 21.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -119.56 127.61 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.0 42.98 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 59.68 30.69 20.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -144.93 138.44 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -73.09 128.98 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.411 ' CD2' HG22 ' A' ' 469' ' ' THR . 63.5 m80 -130.98 166.27 21.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 47.8 m-85 -106.25 132.64 52.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.6 t -136.95 143.31 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 1.8 mt -128.18 143.02 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -125.42 105.44 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.964 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.88 -48.26 82.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.263 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.38 -35.05 79.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.73 -37.33 86.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 96.4 mtp -60.44 -36.86 79.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.94 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.8 -44.81 90.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.87 80.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.04 -42.92 79.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -74.97 -44.92 45.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.257 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.66 -30.87 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.45 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -69.96 -51.51 32.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.97 -27.86 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.06 -31.79 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.035 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -67.87 -40.97 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -79.57 -34.07 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.833 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.67 128.09 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 42.2 m -127.75 144.25 51.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.52 -40.17 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -61.71 -40.06 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.32 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 37.0 t -64.44 -46.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.16 -32.96 70.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -56.2 -36.42 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.25 -44.03 72.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.064 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.3 -35.13 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.7 p -63.05 -28.69 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -78.84 -64.03 1.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 155.19 51.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 138.86 66.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.545 2.163 . . . . 0.0 112.277 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 15.5 ttt -143.06 141.31 31.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.453 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 17.4 p -82.49 160.53 22.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 41.5 p -59.87 -45.63 91.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -59.84 -40.04 87.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.7 -37.96 77.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.18 -41.7 94.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 8.9 mt -71.45 -33.57 69.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -60.64 -38.35 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -60.82 -38.49 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -126.32 42.08 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.8 p -157.67 27.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -64.66 -45.09 88.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.948 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -175.77 100.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 29.2 p -155.08 -44.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 105.44 -22.76 31.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 484' ' ' LEU . 1.7 mm? -93.35 143.27 26.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.2 m -59.9 165.25 3.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.4 p -57.37 -33.61 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.98 -40.05 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.78 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -66.27 -40.66 90.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 26.2 m -60.33 -38.83 84.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.4 t -65.05 -30.06 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.53 -45.07 85.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.025 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 36.8 t -71.67 -51.19 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.31 -30.54 71.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.65 82.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.299 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.52 -42.04 59.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.352 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.1 tt -63.3 -44.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.452 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 6.2 mt -72.13 -31.99 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.93 -51.88 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -79.3 -15.46 57.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.666 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.412 ' HB3' ' O ' ' A' ' 497' ' ' LEU . 27.4 tp -45.8 -45.41 14.75 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.487 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 26.8 m-20 61.32 50.63 1.98 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.771 0.319 . . . . 0.0 110.991 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 72.0 Cg_endo -73.87 -167.71 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.58 2.186 . . . . 0.0 112.211 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -112.03 132.0 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.701 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -100.88 124.82 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -135.97 145.48 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 52.0 ttm -97.31 107.8 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -121.41 125.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.25 40.64 27.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 60.31 35.78 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -140.95 153.07 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 6.0 tpt -85.24 120.23 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.453 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 66.0 m80 -123.1 140.77 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 20.4 m-85 -103.69 132.6 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 47.3 m -133.34 154.69 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.68 138.38 39.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -98.92 127.06 44.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.94 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.827 0.346 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -64.6 -34.04 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.08 -29.49 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 20.6 ttt -55.57 -44.21 76.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.1 -42.04 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -56.72 -39.53 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.038 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.43 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.57 -42.75 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.43 -41.56 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.09 69.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.03 -44.83 83.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.429 ' CD2' ' O ' ' A' ' 497' ' ' LEU . 15.4 mt -84.09 -18.0 38.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -57.73 -43.99 85.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.724 0.297 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.88 -49.47 61.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.3 OUTLIER -65.03 -34.14 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.668 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.793 0.33 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.5 m -69.4 128.25 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.232 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 14.9 t -142.42 153.46 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.01 -38.78 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.12 -35.82 76.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -59.93 -33.76 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 26.2 t -78.11 -40.98 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -60.55 -43.82 96.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.78 -43.33 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.088 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 21.3 m-85 -69.81 -41.82 74.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.58 -40.14 80.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.031 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 39.7 p -62.52 -29.74 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -69.76 -64.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.97 147.0 30.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.849 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.19 132.4 50.2 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 6.7 ptm -140.41 149.64 42.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 32.3 p -88.05 169.34 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.41 HG22 ' CE2' ' A' ' 513' ' ' PHE . 20.1 p -59.52 -42.18 91.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -58.83 -38.44 78.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.57 -37.32 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.48 -45.1 95.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.94 -30.58 68.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.88 -35.58 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -60.75 -37.94 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -139.73 55.86 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.17 -39.69 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.9 t -175.67 47.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -177.23 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -69.68 66.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 40.2 p -109.38 -23.3 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 101.45 -22.37 39.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 484' ' ' LEU . 2.1 mm? -98.54 139.2 34.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.728 0.299 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.1 t -71.77 162.98 28.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.0 p -57.88 -35.84 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.38 -43.99 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.794 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.42 -40.38 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 45.1 m -60.3 -42.55 95.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.11 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.33 -42.74 87.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 29.2 t -76.36 -48.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.03 -31.88 73.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -68.7 -42.47 77.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -73.79 -41.72 62.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.7 tt -65.86 -44.82 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.049 0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.45 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 55.7 mt -69.95 -29.52 66.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -54.2 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 111.037 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -77.28 -15.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.491 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 27.6 tp -46.06 -28.89 1.3 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.789 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.428 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 22.1 p30 43.54 51.65 7.67 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.565 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 87.4 Cg_endo -77.57 146.63 24.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 53.8 mp0 -65.86 136.14 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -90.34 131.44 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -132.91 132.24 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.7 mtp -88.8 105.94 18.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -121.26 127.47 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.55 40.12 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 58.68 38.66 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -147.03 153.43 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.1 mtt -77.86 124.25 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 60.6 m80 -127.53 150.02 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.41 ' CE2' HG22 ' A' ' 470' ' ' THR . 83.7 m-85 -107.21 134.66 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 30.4 t -147.96 141.04 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.63 138.29 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -117.61 94.87 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.906 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.345 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.66 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.22 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -58.12 -43.07 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.014 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -68.08 -36.78 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 95.1 mtp -61.3 -42.56 98.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.1 -46.69 10.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.256 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.03 -46.71 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.083 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.18 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 9.4 tt -69.01 -46.8 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.76 -33.35 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.47 -27.53 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.44 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.4 -49.9 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.316 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.75 -37.67 70.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.649 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' B' ' 959' ' ' ASP . 41.3 p-10 -57.78 -21.78 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.342 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' B' ' 958' ' ' ASN . 49.6 t0 -78.12 -55.29 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.0 OUTLIER -63.39 -33.83 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.723 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.762 0.315 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.82 129.13 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 49.4 m -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.36 -34.81 74.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.31 -41.77 85.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -67.73 -37.87 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.63 -47.15 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -60.49 -42.26 95.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.23 -38.92 84.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.417 ' CE2' ' HE2' ' A' ' 476' ' ' LYS . 21.8 m-85 -67.77 -45.66 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.37 -35.64 81.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -32.93 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -77.02 -49.31 15.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 146.43 28.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.2 128.9 12.54 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.595 2.197 . . . . 0.0 112.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.1 mtm -131.67 154.52 48.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 13.7 p -81.23 162.99 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 9.5 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -59.22 -41.66 89.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.8 -41.86 97.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.38 -38.8 85.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -49.19 25.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -66.27 -31.86 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.417 ' HE2' ' CE2' ' A' ' 462' ' ' TYR . 51.4 tttt -57.07 -26.97 61.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.443 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -119.0 -48.09 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.507 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -53.76 -46.65 71.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.469 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 17.2 p -97.8 25.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.21 -76.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -153.95 28.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 71.9 p -75.46 124.09 26.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -76.84 -21.14 75.03 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.682 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -79.94 157.93 26.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -58.1 160.7 4.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.8 p -59.41 -37.15 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -67.88 -44.71 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.13 -38.42 90.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 27.5 m -59.37 -41.38 89.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.2 t -64.45 -42.74 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -58.34 -42.98 88.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 29.5 t -63.17 -47.35 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 26.4 mt -70.08 -39.72 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.287 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -36.76 77.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.422 HG23 HD13 ' A' ' 496' ' ' ILE . 0.3 OUTLIER -78.03 -49.54 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' B' ' 957' ' ' LEU . 1.0 OUTLIER -66.52 -30.21 70.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.313 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -47.7 -46.94 30.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -79.4 -15.84 57.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.47 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 42.5 tp -51.22 -46.13 62.16 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.458 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 0.4 OUTLIER 57.06 49.04 3.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.969 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' A' ' 500' ' ' LEU . 74.1 Cg_endo -74.7 140.96 27.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.506 2.137 . . . . 0.0 112.338 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.9 143.46 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.782 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -95.5 126.4 40.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -132.23 144.1 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 59.3 ttp -103.53 104.27 14.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.49 131.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.8 38.57 21.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 57.19 35.62 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.89 148.9 41.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 94.3 mmm -78.89 114.81 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.54 148.19 44.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -107.32 128.27 54.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.3 t -149.45 147.94 28.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.95 155.05 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.79 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -106.16 94.78 5.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.961 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.311 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.97 89.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.76 -34.98 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.36 -35.24 75.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 97.1 mtp -67.14 -37.89 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.11 -53.04 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.688 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -33.14 66.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.474 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.83 -58.05 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.428 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.94 -45.19 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.51 -33.51 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.01 95.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -69.91 -42.79 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.074 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.45 HD11 ' HD2' ' A' ' 502' ' ' PRO . 4.5 mm? -70.0 -31.1 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -59.52 -23.17 62.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -67.72 -36.84 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.11 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' B' ' 957' ' ' LEU . 1.4 mt -58.78 -35.46 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.407 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.4 t -108.44 135.47 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 13.1 t -133.04 154.56 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.07 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.71 -42.11 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.05 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.19 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.41 -44.68 77.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -60.4 -39.85 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -57.83 -37.6 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.7 -39.52 91.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.11 -43.28 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 43.6 p -60.34 -34.17 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -79.88 -51.09 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -146.07 137.64 13.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.46 124.48 9.41 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.466 2.111 . . . . 0.0 112.287 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 11.4 ptp -135.4 156.64 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.411 HG21 ' CD2' ' A' ' 512' ' ' HIS . 29.2 p -81.06 170.26 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.448 ' CG2' ' CE2' ' A' ' 513' ' ' PHE . 4.7 p -58.48 -38.07 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -57.66 -45.05 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.49 -38.12 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.18 -43.32 87.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.94 -49.01 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -60.32 -39.78 88.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -38.84 85.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.58 24.72 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -128.18 -61.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 66.7 p -60.22 -31.44 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -73.27 144.61 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -60.15 101.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.2 p -111.63 -24.0 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 107.31 -26.36 18.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 50.9 mt -100.46 149.69 23.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.7 m -58.8 158.06 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 9.6 t -58.2 -38.9 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -72.13 -38.28 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.09 -40.59 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 90.9 m -61.98 -44.04 97.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 34.9 t -62.68 -41.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -60.9 -50.22 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.55 -48.13 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.237 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 23.7 tp -59.68 -35.26 74.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.58 91.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.941 0.4 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.7 -41.35 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 2.3 tt -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' B' ' 957' ' ' LEU . 3.0 mt -74.57 -43.6 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.479 ' HA ' HD11 ' B' ' 957' ' ' LEU . 0.1 OUTLIER -47.4 -43.85 23.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.352 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.07 -15.96 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.205 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.481 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 2.3 tt -58.06 -44.43 87.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.419 ' HA ' ' CD1' ' B' ' 960' ' ' LEU . 0.1 OUTLIER 56.49 56.35 8.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.285 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 500' ' ' LEU . 73.3 Cg_endo -76.37 151.87 33.95 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.192 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.07 135.89 57.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.776 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.59 119.22 38.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -132.84 144.84 50.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.6 mtp -90.57 112.3 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.37 120.96 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.7 43.0 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 59.75 37.11 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.97 152.37 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 50.3 ttm -87.74 117.91 26.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.411 ' CD2' HG21 ' A' ' 469' ' ' THR . 61.7 m80 -127.3 146.8 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.448 ' CE2' ' CG2' ' A' ' 470' ' ' THR . 91.8 m-85 -106.01 132.34 52.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.0 p -127.98 152.97 47.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 15.1 mt -133.87 144.71 49.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -132.01 94.92 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.899 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.2 96.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.14 -46.08 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -74.97 -27.15 60.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 40.7 ttm -56.99 -39.18 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.035 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.95 -44.97 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -58.5 -34.2 70.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.17 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.21 -46.63 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -32.02 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.27 90.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.34 -43.01 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.543 ' CD1' ' O ' ' A' ' 497' ' ' LEU . 12.2 tp -69.0 -28.72 66.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -17.79 50.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.389 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.719 0.295 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' B' ' 957' ' ' LEU . 1.7 mt -59.61 -39.53 84.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.965 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.51 129.63 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 56.5 m -128.86 143.65 50.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -59.24 -37.67 78.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.4 -41.95 99.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.7 78.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.33 -37.73 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -58.33 -35.67 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -58.31 -37.67 75.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -67.7 -41.65 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.024 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.64 -43.0 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 71.1 p -62.17 -26.08 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.071 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -74.13 -63.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -146.02 154.36 50.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 0.401 ' CB ' ' CD1' ' A' ' 507' ' ' ILE . 41.6 Cg_exo -56.87 133.6 59.05 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.583 2.189 . . . . 0.0 112.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -145.33 144.55 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 21.3 p -85.07 168.06 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.42 HG21 ' CE2' ' A' ' 513' ' ' PHE . 18.6 p -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.8 -36.73 77.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.67 -34.05 75.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 56.8 mt -78.02 -34.97 50.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.33 -40.38 36.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -29.83 63.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.159 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -62.63 -36.66 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.026 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 477' ' ' PHE . 4.3 m-85 -127.18 30.44 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -69.34 -47.33 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 63.8 p -139.14 27.72 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -97.44 147.88 23.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -64.84 109.78 2.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 2.2 p -150.63 23.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 81.23 -58.0 4.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 40.0 mt -81.31 142.78 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 3.1 p -81.2 179.32 7.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 14.8 m -58.32 -40.71 82.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -46.21 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.26 -35.17 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 48.6 m -59.25 -46.02 89.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 33.9 t -64.42 -41.32 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -59.44 -44.82 92.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 36.5 t -70.88 -49.79 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.205 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.25 -35.5 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.77 88.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -75.17 -43.6 51.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.2 tt -64.8 -44.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.455 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 73.2 mt -71.63 -26.92 62.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.051 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' B' ' 957' ' ' LEU . 0.0 OUTLIER -47.43 -53.62 13.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.904 0.383 . . . . 0.0 111.366 -179.652 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -79.57 -15.23 58.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 497' ' ' LEU . 44.6 tp -45.51 -55.15 6.53 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.478 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 54.4 t30 60.88 49.71 1.89 Allowed Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 110.871 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 72.5 Cg_endo -75.43 166.26 29.03 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.626 2.217 . . . . 0.0 112.37 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -90.98 141.52 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -108.07 130.94 55.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -131.7 144.49 51.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.0 mtp -85.36 105.14 15.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . 0.401 ' CD1' ' CB ' ' A' ' 467' ' ' PRO . 47.2 mt -118.1 123.54 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.78 41.83 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 59.19 33.52 22.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -142.86 153.16 42.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 59.9 ttp -84.77 126.15 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -128.67 151.78 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.43 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 24.1 m-85 -105.78 127.39 53.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 7.8 t -154.62 142.56 20.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 156.46 45.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.626 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -102.91 121.09 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.937 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.878 0.37 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.96 -43.37 95.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.64 -39.86 88.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 98.2 mtp -62.0 -40.02 94.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -84.5 -28.36 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -56.65 -39.77 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -81.53 -42.26 20.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 9.5 tt -63.11 -41.96 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -36.01 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.02 -30.96 72.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.55 -37.15 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.478 HD12 HD23 ' B' ' 960' ' ' LEU . 5.2 mp -101.98 -9.96 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.495 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -57.82 -34.43 69.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.821 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -104.39 -21.63 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.155 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.478 HD23 HD12 ' B' ' 957' ' ' LEU . 7.0 tp -54.13 -34.02 59.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.1 ttp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.895 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 4.1 m -68.62 124.18 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 23.4 p -131.38 152.76 50.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.95 -40.01 90.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -59.78 -42.39 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.02 78.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.6 t -61.4 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -61.52 -32.51 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.07 -39.57 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.419 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 95.3 m-85 -70.64 -44.27 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.96 -34.79 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -60.68 -27.49 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -72.82 -59.63 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -146.07 158.32 48.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.8 136.81 73.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.504 2.136 . . . . 0.0 112.208 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.8 mtp -136.19 150.27 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 28.4 p -98.17 162.85 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.446 ' CG2' ' CE1' ' A' ' 513' ' ' PHE . 39.4 p -55.25 -45.3 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -62.21 -38.14 88.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.97 -39.85 91.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.95 -40.82 95.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -42.29 87.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -62.19 -30.3 70.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 49.0 tptt -56.81 -31.03 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 476' ' ' LYS . 98.3 m-85 -148.0 42.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.63 -69.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 59.3 p -114.25 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.236 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -90.65 147.98 22.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -69.4 101.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 72.4 p -130.17 6.71 4.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.319 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 94.67 -27.26 14.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 55.3 mt -108.08 145.47 34.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.347 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 m -64.02 160.3 18.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 4.6 t -58.62 -38.59 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.84 -33.8 75.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 47.7 m -58.94 -40.86 85.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 28.6 t -61.45 -41.02 88.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -60.77 -46.25 91.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.6 t -69.17 -50.09 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.7 -31.1 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.19 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -77.46 -43.49 32.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.8 tt -61.55 -44.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.071 0.462 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.45 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 3.1 mt -61.2 -40.77 95.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.49 ' O ' HD13 ' B' ' 960' ' ' LEU . 1.3 mtpt -47.66 -46.88 29.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 0.0 111.414 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -79.92 -15.76 56.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.677 0.275 . . . . 0.0 111.368 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.469 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 30.5 tp -47.93 -36.48 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.478 ' HA ' HD22 ' B' ' 960' ' ' LEU . 2.1 m-80 48.87 47.63 5.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.361 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 500' ' ' LEU . 92.0 Cg_endo -79.15 176.97 9.18 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.342 2.028 . . . . 0.0 112.461 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -108.28 142.3 38.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -96.7 126.19 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.988 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -133.39 136.98 45.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.4 ttm -95.82 111.03 23.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 41.4 mt -119.27 119.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 57.69 43.32 22.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 61.4 36.86 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -138.88 151.69 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 63.6 mtt -85.35 125.42 32.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -132.28 146.25 51.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.446 ' CE1' ' CG2' ' A' ' 470' ' ' THR . 81.4 m-85 -111.17 138.96 46.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.8 p -121.46 156.38 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.89 141.61 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -131.99 119.34 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.923 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.23 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.46 -40.03 89.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.21 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.9 -39.33 88.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.66 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -58.45 -42.95 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.48 88.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.32 -37.76 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.75 -44.49 96.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.383 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.91 -39.58 94.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 497' ' ' LEU . 9.4 tp -101.03 -9.63 21.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.83 -41.56 67.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -68.41 -33.87 75.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 498' ' ' LYS . 9.0 tt -59.41 -33.54 71.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 3.9 tpp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.942 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.868 0.366 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.97 133.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 41.3 p -126.21 154.97 42.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . 0.401 ' N ' ' CD1' ' A' ' 496' ' ' ILE . 84.1 tt0 -65.77 -34.99 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -58.15 -35.48 71.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.67 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.14 -41.67 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -58.9 -39.65 82.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.82 -35.72 79.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -66.73 -44.74 80.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.063 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.2 -37.01 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -30.89 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -82.62 -56.55 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -146.05 146.78 29.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -55.93 143.28 82.86 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.564 2.176 . . . . 0.0 112.25 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 92.0 mmm -137.27 166.05 24.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.45 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.9 p -114.8 166.55 11.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 20.2 p -59.27 -46.4 88.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -60.71 -36.84 79.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.36 -35.23 78.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.44 -45.14 89.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.61 -34.91 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -60.28 -37.93 81.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.5 -36.39 75.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.71 66.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -66.61 -50.42 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.07 62.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.08 -74.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -154.39 28.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -65.65 -29.52 70.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.86 -27.81 18.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.56 142.18 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.822 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 46.0 m -62.29 166.22 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 30.3 m -56.63 -39.49 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.0 -42.66 94.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.95 -37.69 84.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 33.7 m -59.84 -36.9 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.86 -36.52 72.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -58.75 -46.3 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.08 -46.13 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -30.15 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.99 -37.57 69.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -77.45 -42.41 36.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.9 tt -59.89 -44.57 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.839 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.45 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 9.7 mt -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.958 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' B' ' 960' ' ' LEU . 16.3 tptt -47.71 -45.19 28.35 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 120.892 0.377 . . . . 0.0 111.242 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -80.13 -15.99 55.9 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.389 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.08 -55.0 38.24 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.6 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 2.3 t-20 61.41 53.29 2.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.6 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 15.2 Cg_exo -68.12 176.01 5.96 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.407 2.071 . . . . 0.0 112.289 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -111.71 130.44 55.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -68.42 138.59 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -151.01 122.12 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.794 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.6 mtp -85.55 107.48 17.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -125.53 126.84 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 58.15 41.21 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 58.34 38.79 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . 0.416 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 6.9 ttpm? -145.73 155.18 42.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.7 ttp -82.67 128.54 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.45 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 67.2 m80 -134.34 157.57 46.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -111.76 138.17 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.9 p -131.63 147.78 52.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 19.6 mt -122.16 145.4 48.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -125.22 94.81 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.403 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.3 63.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.07 -43.05 99.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.45 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 15.9 ttt -60.47 -41.96 95.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.97 -29.43 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -58.01 -48.03 81.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.74 -40.34 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . 0.404 ' CD2' ' CD1' ' A' ' 497' ' ' LEU . 7.9 tt -61.41 -55.72 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.49 -34.78 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.58 -47.59 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.192 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 498' ' ' LYS . 10.5 tp -84.49 -9.68 58.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.46 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -53.85 -47.89 70.53 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.9 -32.43 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.524 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.535 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 1.2 tt -63.8 -34.92 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.754 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.897 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.817 0.341 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.9 133.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 51.7 m -123.97 135.93 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.11 -38.35 88.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -59.95 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.37 94.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.0 t -64.23 -41.68 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 14.9 ttp-105 -59.13 -38.1 78.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.12 -42.65 86.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -68.02 -44.63 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 39.1 mt -68.9 -37.18 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 17.9 p -67.69 -32.16 72.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -53.07 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.02 138.06 13.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.47 131.75 19.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.525 2.15 . . . . 0.0 112.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 8.2 ptp -132.52 156.9 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.452 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 21.5 p -75.17 165.5 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 32.1 p -58.33 -43.89 88.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -57.51 -40.65 79.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -63.13 -34.52 77.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 55.9 mt -60.09 -43.5 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.64 -47.58 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -55.86 -35.42 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.411 ' HG2' ' CE2' ' A' ' 477' ' ' PHE . 3.5 ttmm -64.89 -33.0 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.411 ' CE2' ' HG2' ' A' ' 476' ' ' LYS . 76.9 m-85 -146.24 71.16 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.135 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -177.24 -59.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 60.0 p -60.18 -30.35 69.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -77.24 163.22 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -63.6 82.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 38.8 p -94.77 -28.34 15.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 102.57 -26.65 23.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -94.07 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.4 m -60.85 151.78 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 59.5 p -61.95 -34.88 76.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -65.38 -44.06 88.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -65.43 -36.78 84.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 38.5 m -60.05 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.76 -44.0 99.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.23 -45.23 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.18 -46.8 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.75 -35.3 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.68 -41.76 98.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.202 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.49 -38.07 86.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -51.13 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 500' ' ' LEU . 8.6 mt -59.08 -57.01 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 499' ' ' ARG . 0.0 OUTLIER -48.06 -32.36 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.061 -179.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . 0.497 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 38.4 tpt85 -79.76 -25.91 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.468 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 497' ' ' LEU . 4.9 mt -55.91 -43.82 77.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 7.2 t-20 58.18 51.73 4.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.813 0.34 . . . . 0.0 110.716 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 60.3 Cg_endo -71.96 153.17 58.05 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.696 2.264 . . . . 0.0 112.43 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.98 143.26 55.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.51 117.5 31.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -134.11 140.84 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.5 mtp -100.31 115.52 30.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.3 mt -121.19 125.01 73.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.76 42.13 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 58.97 39.67 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.09 148.24 36.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -76.97 119.12 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.452 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 47.5 m80 -129.52 144.38 51.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.411 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 98.1 m-85 -107.94 132.6 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.7 m -123.72 146.87 47.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 6.1 mt -131.78 141.07 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -124.96 95.01 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.947 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.94 87.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.76 -35.94 77.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.67 -39.44 84.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 66.1 mtm -63.62 -37.38 87.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -67.71 -43.02 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -59.1 -41.04 87.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.99 63.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.42 -40.35 89.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.07 -39.72 90.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.75 71.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -64.5 -49.58 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.445 ' CD2' ' CD1' ' B' ' 960' ' ' LEU . 4.2 mt -69.8 -28.5 65.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.12 -16.36 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.394 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.81 -32.77 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 111.092 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.445 ' CD1' ' CD2' ' B' ' 957' ' ' LEU . 1.7 mt -58.88 -34.81 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.869 0.366 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 48.8 m -129.15 140.85 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.18 -38.32 82.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -60.27 -40.95 92.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.31 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.46 -42.86 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.66 -36.0 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -58.74 -40.27 83.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -68.46 -44.47 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.94 -35.23 80.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.8 p -68.49 -30.03 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -79.34 -60.44 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -145.98 141.38 16.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . 0.4 ' CG ' ' CD1' ' A' ' 507' ' ' ILE . 35.9 Cg_endo -65.04 139.02 59.4 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 76.3 mtp -138.35 152.94 48.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 7.0 p -81.21 162.82 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 37.2 p -57.07 -44.37 83.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -58.21 -45.78 87.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.72 -37.05 82.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.01 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.04 -43.66 91.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . 0.401 ' CD2' ' CG2' ' A' ' 490' ' ' VAL . 28.2 tp -65.93 -50.54 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.998 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -32.03 68.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -61.23 -37.14 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -118.44 25.24 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.227 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 69.0 p -93.97 20.19 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.253 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -95.58 -69.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.49 37.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 82.3 p -77.74 129.33 35.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -60.94 -22.71 60.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 484' ' ' LEU . 2.7 mm? -80.01 148.81 30.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 29.6 t -62.11 164.58 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.1 p -58.98 -39.69 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.07 -43.2 71.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -66.1 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 24.3 m -59.45 -41.47 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.401 ' CG2' ' CD2' ' A' ' 474' ' ' LEU . 25.4 t -62.88 -42.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -57.7 -39.16 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.8 t -73.41 -54.71 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.285 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.94 -45.93 90.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -56.85 -40.18 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.416 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -59.9 -42.04 92.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.454 HG21 HD22 ' A' ' 497' ' ' LEU . 0.8 OUTLIER -78.26 -42.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.34 179.553 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 496' ' ' ILE . 4.0 mm? -56.52 -39.94 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.271 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.538 ' HG3' ' N ' ' A' ' 499' ' ' ARG . 0.0 OUTLIER -65.35 -38.82 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.041 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 76.1 ttt-85 -80.08 -15.94 56.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.571 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 497' ' ' LEU . 14.1 mt -53.79 -37.73 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.513 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 2.6 m120 59.15 46.16 1.41 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.692 0.282 . . . . 0.0 110.738 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 73.4 Cg_endo -73.65 -178.07 3.51 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.49 2.127 . . . . 0.0 112.392 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.41 160.3 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -107.03 127.41 53.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -132.82 143.75 49.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.17 107.05 18.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . 0.4 ' CD1' ' CG ' ' A' ' 467' ' ' PRO . 43.5 mt -122.27 125.25 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.7 m120 57.96 41.81 23.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 58.87 35.91 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -140.55 153.51 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.9 mtt -85.13 122.44 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -127.73 162.45 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 42.9 m-85 -112.22 142.1 45.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.2 t -144.08 143.49 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.37 123.54 28.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -107.39 130.32 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.849 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.855 0.359 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.17 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.84 -40.69 89.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.96 -33.72 73.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.4 -36.83 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.07 -41.04 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.314 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -57.25 -36.77 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.165 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.43 75.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 8.3 tt -66.2 -44.48 83.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.164 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -74.77 -29.34 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -59.73 -34.7 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.324 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -73.53 -49.29 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.19 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 498' ' ' LYS . 5.8 mt -60.43 -26.28 66.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.49 -40.38 78.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -67.87 -48.15 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -68.44 -33.49 74.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.53 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.8 ttp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.919 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.754 0.311 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.92 138.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 48.3 m -122.46 144.42 49.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -36.93 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.29 -37.3 77.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.4 -42.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -59.88 -35.63 75.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.32 -39.7 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.47 -42.11 75.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.51 -35.96 81.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -30.38 71.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -75.47 -65.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 140.42 15.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.04 130.85 41.89 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.453 2.102 . . . . 0.0 112.276 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 46.0 mtm -138.84 148.68 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 6.2 t -83.55 164.88 19.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 36.7 p -52.71 -44.84 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -58.73 -47.61 84.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.999 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -61.65 -36.96 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.013 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.63 -41.97 98.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.62 -35.35 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -60.57 -41.28 94.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -63.01 -35.3 79.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.422 ' CE2' ' CG2' ' A' ' 482' ' ' THR . 0.3 OUTLIER -132.44 55.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.781 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -60.8 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 3.9 t 178.89 39.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -109.13 23.03 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' THR . . . . . 0.422 ' CG2' ' CE2' ' A' ' 477' ' ' PHE . 71.3 p -77.16 -38.25 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 95.62 -27.41 15.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.3 mt -108.12 155.41 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.2 t -59.5 165.67 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 89.6 p -59.18 -31.65 69.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.76 -46.08 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.791 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.46 -37.28 80.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 24.5 m -59.59 -40.81 88.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.9 t -67.29 -33.8 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.98 -58.1 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 495' ' ' GLN . 26.3 t -65.42 -28.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.182 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.18 -38.47 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.586 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.26 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 492' ' ' VAL . 0.4 OUTLIER -72.55 -46.69 53.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.02 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.4 tt -63.01 -44.55 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 12.2 mt -70.39 -26.99 63.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' B' ' 957' ' ' LEU . 14.5 tptp -56.47 -51.06 69.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -79.17 -15.03 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 39.7 tp -45.33 -41.41 8.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.523 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 11.0 t-20 56.44 49.19 4.02 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.774 0.321 . . . . 0.0 110.965 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 71.7 Cg_endo -75.66 -168.31 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.692 2.261 . . . . 0.0 112.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -108.53 161.64 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.588 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -118.83 131.5 56.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -139.88 139.39 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.8 ptp -92.06 99.73 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 40.0 mt -116.82 128.32 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.98 42.3 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 59.26 31.09 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -141.71 151.31 42.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 9.9 mtt -84.66 119.41 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -115.77 166.5 11.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 29.9 m-85 -110.77 139.18 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.9 p -140.79 155.17 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.3 110.19 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -92.86 132.68 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.943 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.93 96.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.17 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.87 -30.95 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 22.9 ttt -58.37 -38.56 77.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.11 -46.63 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.408 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -57.22 -39.37 75.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.94 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.32 -40.4 85.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -63.21 -45.35 92.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -56.79 -28.35 61.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.44 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.11 -63.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.111 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 957' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' B' ' 960' ' ' LEU . 8.2 tp -63.6 -29.04 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.185 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.24 -31.16 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -67.87 -37.65 82.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 960' ' ' LEU . . . . . 0.523 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.4 OUTLIER -72.61 -30.42 64.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.437 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.7 t0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.848 0.356 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.3 t -116.65 132.59 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -125.82 151.81 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.03 130.8 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 13.2 t -138.71 156.89 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.73 -39.18 87.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.89 -38.55 82.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.91 -45.61 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.6 -46.42 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.1 -32.52 73.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -42.69 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.3 m-85 -66.07 -44.99 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 74.6 mt -65.31 -36.38 83.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.4 p -67.99 -33.76 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.13 -52.21 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.11 138.78 13.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.68 135.36 48.45 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.483 2.122 . . . . 0.0 112.17 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 82.6 mtp -136.71 167.27 21.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.3 p -105.62 164.77 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.424 ' CG2' ' CE2' ' A' ' 513' ' ' PHE . 23.2 p -58.16 -43.01 87.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 -40.83 96.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -67.62 -40.34 84.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.58 -44.64 93.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.34 -36.65 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.8 -30.27 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -57.21 -38.95 74.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.184 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.11 30.39 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.077 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -63.91 -49.07 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -169.75 33.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -64.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -130.78 -44.44 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 26.9 p -56.15 118.74 4.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -84.64 54.94 4.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.58 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 484' ' ' LEU . 3.0 mm? -104.42 145.07 30.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 t -59.81 153.63 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 20.5 m -57.9 -41.8 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -71.07 -39.92 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -64.98 -42.44 94.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 6.5 m -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.99 -39.7 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.5 -44.05 93.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 30.1 t -63.56 -53.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.79 -30.81 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.99 -47.82 76.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.222 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.75 -38.12 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -50.13 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.47 ' O ' ' CD2' ' B' ' 957' ' ' LEU . 52.5 mt -64.85 -49.18 71.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.304 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' B' ' 960' ' ' LEU . 4.4 tptm -47.66 -40.36 19.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 111.279 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -80.32 -15.84 55.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 0.0 111.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.427 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 28.4 tp -56.35 -37.26 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.461 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 8.9 p30 44.65 49.17 5.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.707 0.289 . . . . 0.0 111.33 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 71.6 Cg_endo -75.83 -168.39 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.43 2.087 . . . . 0.0 112.405 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -109.06 155.96 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -114.0 137.55 51.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -130.95 145.96 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.7 mtm -87.94 101.4 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.6 mt -118.42 121.72 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 25.3 t30 57.09 42.68 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.33 36.43 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.81 156.12 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 23.7 ptm -87.34 130.79 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -129.8 162.91 27.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.452 ' CZ ' ' CE ' ' B' ' 961' ' ' MET . 97.0 m-85 -106.9 131.61 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.8 p -133.54 147.09 51.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 19.4 mt -132.88 136.43 46.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -127.04 94.93 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.867 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 86.9 p -61.15 -30.65 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 95.2 p -133.49 156.32 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 10.9 t -165.7 -66.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -60.1 -36.04 76.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.29 94.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.53 -40.73 92.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.66 -30.31 71.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 28.1 ttt -56.77 -35.82 69.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.99 -28.44 24.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.301 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -57.44 -36.28 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.09 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.48 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.139 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 20.8 tp -65.76 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.41 -33.72 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.48 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -71.13 -61.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 497' ' ' LEU . 27.2 mt -60.46 -19.62 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.333 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -55.37 -27.87 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.341 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -68.02 -63.39 1.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 498' ' ' LYS . 3.9 pp -56.65 -27.56 58.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.129 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 961' ' ' MET . . . . . 0.452 ' CE ' ' CZ ' ' A' ' 513' ' ' PHE . 43.9 mtt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.1 t0 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.866 0.365 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.28 134.27 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -125.16 161.66 26.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.3 134.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 42.6 m -97.32 137.65 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.52 -35.43 74.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.64 -38.0 80.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.35 -48.86 76.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 25.7 t -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.45 -37.5 81.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -57.68 -40.53 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 72.7 m-85 -66.55 -47.72 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.04 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.62 -39.28 84.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 17.3 p -66.65 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -77.27 -50.01 13.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.08 145.57 25.07 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.36 122.13 7.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.0 112.339 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 66.5 mtm -136.33 160.1 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 22.2 p -87.49 167.06 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.421 HG21 ' CE1' ' A' ' 513' ' ' PHE . 32.7 p -54.89 -44.04 73.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -57.28 -40.45 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.94 -41.37 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.35 -43.48 85.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.42 -44.84 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -54.97 -35.75 64.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -60.69 -38.93 86.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.6 32.87 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -60.16 -44.65 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.62 34.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -61.13 -68.41 0.31 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.57 29.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 70.3 p -78.32 -29.41 47.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 74.28 17.31 79.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.609 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 mt -120.02 144.56 47.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.0 t -65.76 167.17 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 10.2 t -56.83 -40.38 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -69.05 -42.22 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.8 -43.58 83.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 31.6 m -62.27 -44.79 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.2 t -71.36 -33.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.21 -44.17 88.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 31.2 t -73.29 -49.65 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.34 -36.84 85.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.09 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.65 -41.28 68.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.24 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.3 tt -67.63 -44.29 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.095 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.454 ' O ' ' CD2' ' B' ' 957' ' ' LEU . 5.9 mt -72.41 -36.53 68.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -47.63 -45.06 27.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 111.315 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -79.3 -16.0 57.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.401 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.421 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 26.8 tp -55.23 -41.29 71.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.692 0.282 . . . . 0.0 111.645 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.434 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 15.9 t-20 55.04 51.56 7.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 72.0 Cg_endo -76.43 170.55 19.75 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.574 2.182 . . . . 0.0 112.381 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.28 160.78 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -128.32 129.72 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.77 148.46 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 21.9 ttt -88.95 107.67 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.417 ' HB ' ' CE1' ' A' ' 512' ' ' HIS . 33.2 mm -116.61 115.88 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 36.5 t30 55.6 46.49 22.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 61.06 36.61 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -144.64 156.2 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 75.8 mtm -87.64 126.63 35.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.417 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 4.3 m80 -121.23 150.76 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 470' ' ' THR . 81.8 m-85 -107.06 127.57 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 22.7 t -133.03 142.54 48.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.22 141.12 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -114.66 94.98 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 43.3 m -62.78 154.2 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 95.6 p -124.1 153.05 42.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 10.8 t -172.2 -52.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.98 -34.19 75.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.82 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.47 -37.36 87.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.37 -31.43 72.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 36.5 mtp -58.47 -48.47 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.11 -32.65 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -57.53 -50.1 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.67 -31.9 67.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.65 -44.59 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.73 -31.87 67.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.11 88.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.68 -40.66 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 497' ' ' LEU . 10.1 mt -75.48 -24.28 56.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -61.48 -17.35 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.71 -47.79 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 111.291 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' B' ' 957' ' ' LEU . 0.5 OUTLIER -60.35 -35.25 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.93 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.5 p -107.49 138.38 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -126.07 164.95 19.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.419 HG21 ' CE1' ' A' ' 477' ' ' PHE . 29.2 t -96.91 132.21 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.2 p -124.3 155.08 39.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.89 -41.12 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -61.82 -40.35 94.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.77 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.5 t -67.63 -37.72 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -58.18 -39.38 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -58.2 -34.88 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -64.44 -42.79 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.69 -37.83 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 15.9 p -61.16 -33.21 73.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -79.35 -61.56 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.0 150.23 41.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.05 129.17 21.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.197 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 76.5 mtp -137.29 158.84 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 1.3 t -101.75 159.41 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.402 ' CG2' ' CD2' ' B' ' 953' ' ' LEU . 35.8 p -55.67 -44.11 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.58 -38.12 71.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -61.08 -37.19 81.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.95 -40.62 87.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.37 -40.05 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.89 -37.04 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -62.12 -39.4 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.419 ' CE1' HG21 ' A' ' 454' ' ' VAL . 96.3 m-85 -87.78 -72.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 58.48 52.54 6.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 11.6 p 55.24 45.36 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.196 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -98.06 118.69 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.42 -160.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.777 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.3 p 72.29 -59.95 0.54 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 106.12 20.87 8.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.643 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 484' ' ' LEU . 3.1 mm? -110.05 134.52 52.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 65.0 p -68.0 167.92 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.7 m -56.68 -41.41 77.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -68.85 -41.48 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.42 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 38.3 m -59.62 -41.21 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 31.6 t -64.85 -35.9 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.04 -45.99 89.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.45 -49.98 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.83 -39.5 94.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.01 89.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -70.76 -40.4 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.5 tt -71.61 -43.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 500' ' ' LEU . 18.0 mt -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.499 ' O ' HD12 ' B' ' 960' ' ' LEU . 12.0 tptm -53.04 -51.13 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.28 -15.54 56.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.796 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.523 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 0.2 OUTLIER -45.65 -27.93 0.89 Allowed 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.21 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.535 ' HA ' ' CD1' ' B' ' 960' ' ' LEU . 0.1 OUTLIER 50.06 48.64 6.26 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.356 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 500' ' ' LEU . 88.7 Cg_endo -83.56 138.2 8.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.29 1.993 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.13 137.73 55.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -84.41 128.45 34.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -141.68 131.61 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.31 124.04 38.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.045 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.0 mt -115.27 119.43 61.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.9 m120 63.25 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -160.12 29.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -135.23 155.33 50.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.6 ttp -86.45 126.4 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -131.57 166.3 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.439 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 79.0 m-85 -119.71 156.12 31.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 85.8 p -146.72 153.78 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.08 127.14 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -97.46 129.74 44.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.922 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 23.7 m -59.42 -35.72 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 28.9 t -125.99 139.9 53.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.3 m -176.88 -64.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -67.43 -29.41 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.95 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.01 -43.44 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.76 -31.08 70.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.69 -37.47 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.06 -51.05 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -58.13 -41.22 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . 0.402 ' CD2' ' CG2' ' A' ' 470' ' ' THR . 9.1 tt -67.92 -40.12 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.04 -38.72 92.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -55.37 -27.02 44.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.385 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -80.16 -59.88 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.19 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.504 ' CD1' HD12 ' B' ' 960' ' ' LEU . 10.8 tp -65.71 -31.41 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.2 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -57.72 -20.22 32.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.206 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.535 ' CD1' ' HA ' ' A' ' 501' ' ' ASN . 11.7 mt -55.14 -39.56 69.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.91 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 12.8 p -106.46 138.45 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -133.23 162.2 32.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.5 t -101.66 129.71 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 29.2 m -130.49 144.61 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -59.11 -36.2 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.46 -39.1 82.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.84 94.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.94 -43.65 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.29 -36.42 75.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -57.75 -42.67 84.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -68.1 -45.15 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 35.2 mt -66.54 -35.49 80.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -65.96 -31.91 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -77.46 -56.96 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.09 149.06 37.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.25 132.68 21.38 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.641 2.227 . . . . 0.0 112.276 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 62.4 mtm -141.04 155.16 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 11.1 t -84.82 167.81 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.413 HG23 ' CE2' ' A' ' 513' ' ' PHE . 0.5 OUTLIER -57.97 -38.04 75.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -59.46 -42.75 92.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.08 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.75 -41.61 91.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 26.8 mt -69.32 -31.55 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -56.08 -26.81 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 75.8 mmtt -57.26 -36.74 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.026 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.417 ' CD1' ' HD2' ' A' ' 480' ' ' LYS . 87.0 m-85 -157.15 47.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -72.34 -42.7 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 57.1 p -126.96 27.73 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . 0.417 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 61.7 mttp -98.07 148.47 23.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 83.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 36.1 p -112.33 25.47 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.034 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 77.15 -60.89 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 mt -80.2 144.69 32.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 53.1 p -67.3 163.47 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.7 m -58.61 -38.14 77.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -67.14 -47.37 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.1 -32.28 73.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 45.6 m -57.69 -41.19 81.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.41 -41.81 93.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -60.74 -46.56 89.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.87 -46.28 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.34 -43.55 98.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.52 71.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.281 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -60.83 -41.08 95.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.446 HG21 HD13 ' A' ' 496' ' ' ILE . 0.9 OUTLIER -78.32 -42.11 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 121.041 0.448 . . . . 0.0 110.648 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.421 HD21 HG23 ' A' ' 496' ' ' ILE . 3.5 mm? -68.45 -35.07 77.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.294 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.446 ' HA ' ' CD2' ' B' ' 957' ' ' LEU . 14.4 tptt -47.94 -55.2 10.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.567 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.69 -15.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.072 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 32.3 tp -45.36 -56.09 5.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.857 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.444 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 23.4 t-20 55.95 51.02 5.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 72.0 Cg_endo -76.3 158.02 37.17 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.675 2.25 . . . . 0.0 112.181 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -57.93 132.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.706 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -97.32 99.02 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.197 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -107.26 148.11 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 2.8 tpp -96.71 108.96 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 33.8 mm -122.07 121.88 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 56.93 43.57 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.88 29.8 19.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -134.86 149.39 50.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 65.7 mtt -79.65 112.61 17.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -110.79 144.65 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.434 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 76.9 m-85 -105.71 136.89 44.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 10.9 t -142.65 141.39 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 17.6 mt -122.68 137.68 54.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -118.97 94.96 4.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 48.9 m -120.34 146.86 45.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 48.2 m -121.61 146.89 46.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.13 -58.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.49 -35.22 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.96 92.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.46 -39.75 88.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.31 -37.37 87.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 70.6 mtm -61.0 -38.17 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -75.68 -46.44 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.51 -36.77 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.057 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.07 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.45 -35.14 77.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.74 -55.41 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.145 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.93 61.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.26 -39.09 72.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.209 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.464 ' N ' HD23 ' B' ' 957' ' ' LEU . 0.4 OUTLIER -88.96 -10.09 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.372 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.2 -32.15 54.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -67.98 -31.53 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.446 HD13 HD21 ' B' ' 957' ' ' LEU . 32.4 mt -58.49 -34.15 70.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 36.0 ttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.85 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.02 129.96 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -118.89 120.0 36.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.66 135.15 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 13.3 t -135.5 152.0 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.61 -39.6 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -63.08 -41.45 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 32.4 t -65.31 -41.71 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -59.13 -40.56 85.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -60.64 -40.74 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.65 -45.57 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.29 -35.44 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -64.36 -31.15 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -81.75 -59.67 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -146.02 150.07 40.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.65 138.42 45.33 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 112.268 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 89.6 mtp -132.61 150.87 52.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.454 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 43.7 p -91.37 165.45 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.442 ' CG2' ' CE1' ' A' ' 513' ' ' PHE . 35.4 p -57.53 -44.76 85.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -60.17 -44.34 95.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -59.03 -37.66 77.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.63 -42.26 87.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -40.69 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -59.45 -34.72 72.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.804 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -59.55 -34.82 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.63 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 480' ' ' LYS . 95.6 m-85 -130.1 39.14 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -55.74 -43.03 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.18 87.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . 0.412 ' HD3' ' CD2' ' A' ' 477' ' ' PHE . 13.1 mtpt -124.04 165.93 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.51 65.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.3 p -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 106.71 -26.5 19.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.66 147.61 27.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.3 m -59.5 160.31 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.7 m -57.69 -40.03 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.52 -40.02 88.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.11 -36.02 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 18.7 m -59.11 -41.37 87.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 32.3 t -62.93 -38.4 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -58.97 -44.6 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 37.8 t -71.89 -48.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.72 -34.18 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.59 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -71.06 -37.39 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.441 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.6 tt -72.0 -44.82 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.044 0.45 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.494 ' O ' ' CD2' ' B' ' 957' ' ' LEU . 18.3 mt -71.56 -43.92 65.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.368 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.498 ' O ' ' CD1' ' B' ' 960' ' ' LEU . 2.2 tmtt? -47.18 -44.32 21.98 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.687 0.279 . . . . 0.0 111.454 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -79.79 -15.63 57.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.837 0.351 . . . . 0.0 111.196 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 17.8 tp -54.6 -41.2 69.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.645 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 38.0 m-80 60.29 49.6 2.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.977 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.645 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 7.9 Cg_exo -71.22 143.5 44.08 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.186 1.924 . . . . 0.0 112.106 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -61.5 132.43 53.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.437 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -96.49 120.68 37.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 111.096 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -134.04 149.68 51.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.3 ptp -101.45 108.71 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -118.98 127.53 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.82 42.52 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 59.02 35.46 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -143.83 153.39 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -85.86 124.63 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.454 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 67.6 m80 -127.76 159.15 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.442 ' CE1' ' CG2' ' A' ' 470' ' ' THR . 93.1 m-85 -110.12 136.71 48.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.773 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 31.4 t -131.93 150.26 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.47 113.28 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -89.48 132.22 35.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.851 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 85.4 p -60.61 -31.06 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 75.6 m 57.36 36.01 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 85.7 p -59.55 -32.69 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.4 -39.07 93.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -73.09 -39.08 66.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.56 -38.12 80.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -65.47 -41.99 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 35.5 mtm -68.93 -38.68 79.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.31 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -58.46 -46.67 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.999 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 11.5 tp -68.47 -44.79 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -72.8 -35.83 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.87 -30.79 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -51.36 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 497' ' ' LEU . 31.2 mt -63.99 -29.58 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.121 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -57.21 -26.6 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.159 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -67.82 -35.69 79.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 498' ' ' LYS . 8.1 mt -64.81 -26.91 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.076 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.872 0.368 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 11.7 p -105.94 140.29 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -113.78 156.95 22.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 24.5 t -103.87 133.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 58.2 m -123.48 140.87 52.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.21 -36.49 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.56 -40.85 88.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.27 92.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.88 -42.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.56 -40.89 88.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 34.9 mtm105 -59.24 -39.42 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -68.73 -46.42 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 44.4 mt -67.01 -36.82 82.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.0 p -64.26 -30.84 71.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.3 tpt85 -73.93 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 145.67 25.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.77 133.52 57.81 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.512 2.142 . . . . 0.0 112.202 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 85.2 mtp -130.34 150.41 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.439 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.4 p -96.68 169.0 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 67.9 p -57.98 -47.83 81.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -63.72 -34.77 78.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -58.98 -36.6 75.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.77 -46.27 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.29 -35.7 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.22 -41.36 92.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -34.86 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.751 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.81 72.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -75.39 -177.99 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.1 t -55.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -132.31 -171.27 2.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.28 65.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 67.4 p -105.65 -26.08 11.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.3 -25.7 26.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.79 140.33 37.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.771 0.319 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.6 m -65.41 160.33 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 19.4 m -58.34 -38.25 76.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.45 -40.91 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.97 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 40.2 m -61.43 -42.48 98.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.31 -43.43 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.36 -48.77 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.13 -33.44 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.39 82.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -67.22 -36.72 82.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -76.64 -47.99 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.66 -35.58 76.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' B' ' 960' ' ' LEU . 0.1 OUTLIER -51.61 -55.14 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.281 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -73.58 -15.86 61.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.301 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.413 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 18.9 tp -48.42 -37.94 18.4 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.46 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 22.5 t30 60.16 52.52 3.31 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.434 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 94.3 Cg_endo -78.92 159.97 27.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.17 130.32 37.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.705 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -92.27 124.13 36.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -128.29 148.04 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -91.89 97.51 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 507' ' ' ILE . 44.2 mt -118.71 121.57 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 57.95 41.96 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 58.91 37.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -149.49 141.72 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -75.66 124.23 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.439 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 62.9 m80 -121.67 143.3 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.434 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 87.5 m-85 -101.74 129.04 47.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.1 t -143.43 140.48 30.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 18.1 mt -114.29 138.99 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -124.16 94.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.888 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 42.1 m -62.88 150.8 40.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 2.0 m -170.34 34.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.1 m -124.5 -75.57 0.6 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.66 -36.88 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.96 -42.25 90.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.13 -38.48 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.99 -36.79 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.98 -40.77 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.51 -29.5 24.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -58.6 -43.52 89.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.1 72.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.09 -44.67 83.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.79 -38.98 90.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.84 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.72 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . . . . . . . . . 2.5 mt -62.93 -24.07 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.966 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -54.48 -31.91 56.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.969 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -68.01 -44.52 76.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.3 OUTLIER -72.82 -37.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.619 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 15.6 ptp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.436 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 46.7 p30 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.878 0.371 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.32 132.0 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -112.72 117.78 33.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.89 131.71 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 12.7 t -137.34 157.63 46.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.83 -38.27 87.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -59.09 -42.69 91.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.57 93.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.72 -46.11 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.009 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -59.27 -38.78 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.413 ' CZ ' ' HE2' ' A' ' 476' ' ' LYS . 23.1 m-85 -70.34 -44.8 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.98 -34.74 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.2 p -61.7 -24.89 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -80.76 -65.12 1.05 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 150.05 40.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.27 135.57 65.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.227 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 90.2 mtp -134.23 145.07 48.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.453 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 42.2 p -90.62 161.53 15.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 42.1 p -58.05 -45.95 86.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -60.93 -43.04 99.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.09 -38.94 92.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.71 -41.07 88.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.5 -40.91 96.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.36 -30.09 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 477' ' ' PHE . 36.6 tttp -58.0 -36.5 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 74.4 m-85 -133.19 30.44 3.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -68.34 -46.38 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.099 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 53.2 p -133.51 26.07 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -79.83 148.97 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -61.88 84.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 43.8 p -116.02 -24.21 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.8 -22.36 35.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 484' ' ' LEU . 2.8 mm? -96.15 143.78 26.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.4 m -60.53 160.18 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.9 m -57.43 -42.41 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.72 -40.22 72.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.58 -34.92 78.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 28.8 m -58.3 -41.78 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 33.8 t -64.64 -39.58 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -58.23 -44.85 88.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.29 -44.92 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.21 -39.29 93.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.98 92.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -76.98 -44.74 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.2 tt -64.21 -44.64 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.078 0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 6.6 mt -68.98 -31.4 70.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.529 ' O ' HD13 ' B' ' 960' ' ' LEU . 13.0 tptm -47.87 -50.48 26.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -79.96 -15.5 57.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.773 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.411 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 54.1 tp -45.72 -54.0 8.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.505 ' HA ' ' CD1' ' B' ' 960' ' ' LEU . 4.7 m-20 65.61 48.42 0.62 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 73.8 Cg_endo -74.7 175.97 10.41 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.564 2.176 . . . . 0.0 112.212 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.34 160.46 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.744 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -121.38 126.43 49.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.69 131.76 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -84.97 108.05 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -118.76 122.21 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 57.34 43.39 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.07 31.23 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.52 153.25 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' MET . . . . . 0.445 ' CE ' ' CE2' ' A' ' 513' ' ' PHE . 2.8 tmm? -86.83 123.07 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.453 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 68.2 m80 -124.82 146.6 49.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.445 ' CE2' ' CE ' ' A' ' 511' ' ' MET . 31.7 m-85 -103.83 135.43 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.7 t -145.22 143.58 30.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.6 130.21 55.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -93.92 126.84 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.909 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 88.4 p -124.22 155.28 38.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 32.1 t -118.21 140.22 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.37 -56.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.73 -34.36 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.12 85.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.38 -36.54 82.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.25 -42.56 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -75.13 -31.05 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.36 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -59.04 -39.25 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.51 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.83 -41.09 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -65.41 -43.39 90.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.57 74.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -65.05 -44.42 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' B' ' 960' ' ' LEU . 2.0 mt -77.11 -29.03 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -55.61 -23.41 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.238 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -67.87 -29.93 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.145 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 498' ' ' LYS . 12.5 mt -52.21 -69.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.846 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.6 t0 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.832 0.349 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.2 p -107.43 136.54 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -117.72 136.02 53.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.413 HG12 ' CG ' ' A' ' 477' ' ' PHE . 5.7 m -72.88 129.68 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.1 p -127.82 150.64 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -68.09 -40.02 82.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.64 -39.88 89.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.34 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.2 -39.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -59.38 -36.4 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -58.38 -39.72 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 54.3 m-85 -70.05 -46.21 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 59.6 mt -67.5 -34.4 77.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.0 p -62.52 -31.22 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -77.0 -59.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -146.11 143.09 18.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.774 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.02 137.78 69.69 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 79.9 mtp -135.83 155.59 50.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 23.0 p -87.75 165.12 15.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.422 HG23 ' CE2' ' A' ' 513' ' ' PHE . 0.8 OUTLIER -57.93 -46.89 84.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.21 -39.76 83.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -62.13 -38.59 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.46 -45.71 89.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.8 -33.61 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -58.66 -36.79 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.424 ' HD3' ' CE2' ' A' ' 462' ' ' TYR . 52.2 mttm -59.46 -30.46 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.413 ' CG ' HG12 ' A' ' 454' ' ' VAL . 98.1 m-85 -131.48 78.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -105.27 172.91 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.4 t -56.37 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.89 -76.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -134.36 14.22 3.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.2 p -69.24 -28.58 66.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.86 -26.03 26.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 54.3 mt -100.38 145.97 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.5 m -59.58 164.0 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 86.8 p -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.63 -39.38 73.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.01 -37.17 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 23.2 m -59.5 -39.58 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.43 -34.61 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -58.55 -46.26 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.0 t -72.44 -47.67 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.99 -38.83 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -77.3 -44.82 28.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.3 tt -63.46 -45.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.145 0.498 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.467 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 4.6 mt -66.37 -33.23 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.752 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.559 ' O ' HD12 ' B' ' 960' ' ' LEU . 15.3 tptm -50.4 -48.89 55.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -80.22 -15.52 56.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.671 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.414 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 53.3 tp -45.61 -54.67 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.506 ' HA ' ' CD1' ' B' ' 960' ' ' LEU . 17.1 t-20 66.64 47.65 0.48 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.726 0.298 . . . . 0.0 111.0 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 72.4 Cg_endo -75.44 172.04 17.09 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.528 2.152 . . . . 0.0 112.245 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -96.05 131.34 42.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -99.0 129.71 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -133.26 144.3 49.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.11 102.84 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.5 mt -119.99 124.62 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.71 40.88 26.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.31 30.45 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -141.71 140.33 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 125.96 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -126.71 152.11 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.422 ' CE2' HG23 ' A' ' 470' ' ' THR . 61.4 m-85 -104.46 127.92 52.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.3 t -134.64 134.34 41.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 15.3 mt -115.03 140.22 49.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -125.11 94.91 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.878 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 29.7 t -119.79 141.7 49.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.8 -50.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 15.7 m 67.39 -70.0 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.14 -36.67 78.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.25 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.82 -45.03 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.4 -33.3 60.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -43.61 98.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.72 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -58.71 -43.24 90.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.61 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 1.5 tp -62.11 -50.39 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -71.97 -36.52 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.323 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -85.18 -43.84 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.447 ' CD2' ' CD1' ' B' ' 960' ' ' LEU . 0.6 OUTLIER -77.11 -24.88 51.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.731 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -58.22 -19.25 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.383 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -67.79 -31.63 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.236 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 498' ' ' LYS . 15.6 mt -54.87 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 59.5 ttp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.932 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.1 t0 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.0 p -107.1 137.15 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -118.68 149.54 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.3 t -109.29 128.42 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 22.7 p -129.99 159.83 35.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -63.93 -40.39 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.15 -38.42 86.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.983 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.86 -44.13 90.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.85 -47.46 93.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 26.0 ttm105 -61.81 -36.69 81.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -57.19 -40.55 77.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 79.3 m-85 -69.98 -42.79 72.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.936 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.68 -34.78 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -64.88 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.51 -59.88 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -146.12 146.09 26.86 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.23 132.54 52.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.516 2.144 . . . . 0.0 112.198 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 7.6 ptm -147.28 148.37 31.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 31.1 p -80.08 162.81 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.418 HG23 ' CE2' ' A' ' 513' ' ' PHE . 1.0 OUTLIER -62.44 -33.52 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.985 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -57.28 -42.42 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.53 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.58 -41.88 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.21 -49.48 60.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -64.59 -35.54 81.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -58.3 -40.14 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -126.09 70.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 49.0 p -92.91 15.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.343 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -97.71 -69.68 0.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -176.32 48.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.87 121.97 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -57.93 -22.3 47.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.406 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 tp -79.91 149.28 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 24.4 m -57.89 150.74 19.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 86.2 p -62.41 -36.03 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.3 -44.51 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -66.14 -35.85 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 31.9 m -59.29 -40.41 86.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 27.1 t -60.51 -46.14 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -61.86 -38.88 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.15 -51.57 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.83 -36.27 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.76 -47.87 79.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.205 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.87 -35.54 76.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -49.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.448 ' HA ' ' HB2' ' A' ' 500' ' ' LEU . 41.0 mt -60.64 -40.34 91.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.15 -53.33 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.57 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -79.13 -15.39 58.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.564 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 497' ' ' LEU . 5.8 tt -45.73 -45.35 14.35 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.501 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 4.5 t30 63.79 54.79 1.67 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.984 0.421 . . . . 0.0 110.626 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.422 ' HD3' ' HB3' ' A' ' 500' ' ' LEU . 75.6 Cg_endo -77.06 -168.59 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.814 2.343 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -109.15 156.02 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.6 mtm105 -112.44 131.15 55.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -136.95 133.85 36.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.47 107.87 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.415 ' HB ' ' CE1' ' A' ' 512' ' ' HIS . 36.7 mm -118.72 117.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 56.44 43.81 25.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 60.2 37.87 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -146.89 137.88 23.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 24.0 ptm -66.09 123.33 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.415 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 6.2 m80 -121.98 150.39 42.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.418 ' CE2' HG23 ' A' ' 470' ' ' THR . 41.4 m-85 -98.61 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.2 t -138.76 145.49 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 1.6 mt -127.51 135.7 50.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -111.56 99.62 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.892 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 86.2 p -61.0 -30.6 70.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 44.4 m -62.48 153.09 32.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 84.2 p -133.09 -63.88 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.29 -35.27 78.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.8 98.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -60.43 -35.4 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 65.9 ttp -80.82 -35.36 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -70.28 -35.4 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -29.33 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.09 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.34 -44.38 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.66 -30.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.056 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.36 -33.66 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -78.27 -54.43 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' A' ' 513' ' ' PHE . 13.0 tp -64.66 -32.98 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.32 -38.26 83.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.01 -41.57 82.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.501 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.4 OUTLIER -59.48 -34.95 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.738 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 17.5 ttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.868 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.843 0.354 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 13.9 p -107.3 140.88 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -98.42 161.9 13.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 29.1 t -99.96 133.45 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.09 155.89 26.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.4 -37.45 80.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -58.26 -51.35 70.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.197 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . 0.406 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -58.33 -36.54 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.2 t -79.08 -39.03 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -62.51 -45.27 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.339 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -56.64 -38.18 71.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.225 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 20.5 m-85 -62.44 -44.87 95.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.065 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.2 mt -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 62.7 p -60.41 -32.73 71.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -80.97 -49.05 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 140.83 15.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 128.81 14.87 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.51 2.14 . . . . 0.0 112.225 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.6 163.7 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.411 HG22 ' CD2' ' A' ' 512' ' ' HIS . 19.0 p -92.25 173.29 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 4.9 p -57.64 -44.3 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -39.38 80.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.1 -37.67 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 71.4 mt -62.15 -41.06 97.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 59.6 mt -67.72 -36.87 81.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.11 -35.98 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -61.38 -33.1 73.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -151.75 66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -89.21 -68.77 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 70.8 p -117.4 32.38 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.734 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -173.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -50.16 -25.35 3.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.525 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 43.6 p -46.95 -31.5 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 63.23 29.3 74.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.646 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 75.6 mt -93.97 130.05 40.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -61.72 163.79 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.2 p -58.02 -38.06 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -76.02 -38.76 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -71.39 -39.87 70.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 37.5 m -60.71 -47.9 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 15.4 m -62.75 -43.47 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -52.19 -35.88 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.275 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.0 -59.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.528 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.3 -44.54 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.394 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.51 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -74.74 -45.02 46.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.4 tt -63.67 -43.53 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 1.2 mt -72.68 -26.96 61.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -48.39 -54.99 11.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 111.443 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -77.42 -15.82 59.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.592 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 25.7 tp -47.78 -36.15 11.19 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.447 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 16.9 t-20 57.45 52.37 5.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 81.6 Cg_endo -77.55 138.22 17.12 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.583 2.188 . . . . 0.0 112.305 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.62 138.71 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -104.3 123.82 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -132.41 146.46 51.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 17.7 ptp -92.79 109.74 21.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -119.56 127.61 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.0 42.98 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 59.68 30.69 20.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -144.93 138.44 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -73.09 128.98 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.411 ' CD2' HG22 ' A' ' 469' ' ' THR . 63.5 m80 -130.98 166.27 21.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 47.8 m-85 -106.25 132.64 52.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.6 t -136.95 143.31 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 1.8 mt -128.18 143.02 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -125.42 105.44 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.964 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 22.8 m -59.37 -34.74 72.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 8.1 t 59.1 81.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.41 -52.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.75 -30.87 71.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.88 -48.26 82.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.263 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.38 -35.05 79.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.73 -37.33 86.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 96.4 mtp -60.44 -36.86 79.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.94 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.8 -44.81 90.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.87 80.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.04 -42.92 79.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -74.97 -44.92 45.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.257 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.66 -30.87 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.45 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -69.96 -51.51 32.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . . . . . . . . . 1.3 mt -69.97 -27.86 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.06 -31.79 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.035 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -67.87 -40.97 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -79.57 -34.07 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.833 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.7 p -108.21 17.1 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.323 0.583 . . . . 0.0 111.417 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -73.61 149.94 41.73 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.67 128.09 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 42.2 m -127.75 144.25 51.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.52 -40.17 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -61.71 -40.06 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.32 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 37.0 t -64.44 -46.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.16 -32.96 70.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -56.2 -36.42 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.25 -44.03 72.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.064 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.3 -35.13 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.7 p -63.05 -28.69 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -78.84 -64.03 1.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 155.19 51.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 138.86 66.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.545 2.163 . . . . 0.0 112.277 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 15.5 ttt -143.06 141.31 31.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.453 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 17.4 p -82.49 160.53 22.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 41.5 p -59.87 -45.63 91.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -59.84 -40.04 87.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.7 -37.96 77.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.18 -41.7 94.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 8.9 mt -71.45 -33.57 69.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -60.64 -38.35 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -60.82 -38.49 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -126.32 42.08 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.8 p -157.67 27.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -64.66 -45.09 88.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.948 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -175.77 100.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 29.2 p -155.08 -44.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 105.44 -22.76 31.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 484' ' ' LEU . 1.7 mm? -93.35 143.27 26.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.2 m -59.9 165.25 3.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.4 p -57.37 -33.61 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.98 -40.05 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.78 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -66.27 -40.66 90.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 26.2 m -60.33 -38.83 84.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.4 t -65.05 -30.06 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.53 -45.07 85.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.025 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 36.8 t -71.67 -51.19 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.31 -30.54 71.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.37 -44.65 82.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.299 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.52 -42.04 59.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.352 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.1 tt -63.3 -44.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.452 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 6.2 mt -72.13 -31.99 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.93 -51.88 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -79.3 -15.46 57.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.666 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.412 ' HB3' ' O ' ' A' ' 497' ' ' LEU . 27.4 tp -45.8 -45.41 14.75 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.487 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 26.8 m-20 61.32 50.63 1.98 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.771 0.319 . . . . 0.0 110.991 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 72.0 Cg_endo -73.87 -167.71 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.58 2.186 . . . . 0.0 112.211 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -112.03 132.0 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.701 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -100.88 124.82 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -135.97 145.48 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 52.0 ttm -97.31 107.8 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -121.41 125.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.25 40.64 27.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 60.31 35.78 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -140.95 153.07 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 6.0 tpt -85.24 120.23 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.453 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 66.0 m80 -123.1 140.77 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 20.4 m-85 -103.69 132.6 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 47.3 m -133.34 154.69 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.68 138.38 39.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -98.92 127.06 44.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.94 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 93.6 p -124.73 155.73 38.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 70.7 m 59.45 -176.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 8.1 t 69.44 -65.33 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.11 -32.41 66.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -64.6 -34.04 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.08 -29.49 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 20.6 ttt -55.57 -44.21 76.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.1 -42.04 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -56.72 -39.53 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.038 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.43 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.57 -42.75 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.43 -41.56 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.09 69.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.03 -44.83 83.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.429 ' CD2' ' O ' ' A' ' 497' ' ' LEU . 15.4 mt -84.09 -18.0 38.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -57.73 -43.99 85.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.724 0.297 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.88 -49.47 61.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.487 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.3 OUTLIER -65.03 -34.14 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.668 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 48.7 p30 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.853 0.359 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.4 p -107.37 131.42 57.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -130.89 125.46 33.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.5 m -69.4 128.25 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.232 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 14.9 t -142.42 153.46 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.01 -38.78 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.12 -35.82 76.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -59.93 -33.76 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 26.2 t -78.11 -40.98 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -60.55 -43.82 96.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.78 -43.33 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.088 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 21.3 m-85 -69.81 -41.82 74.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.58 -40.14 80.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.031 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 39.7 p -62.52 -29.74 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -69.76 -64.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.97 147.0 30.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.849 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.19 132.4 50.2 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 6.7 ptm -140.41 149.64 42.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 32.3 p -88.05 169.34 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.41 HG22 ' CE2' ' A' ' 513' ' ' PHE . 20.1 p -59.52 -42.18 91.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -58.83 -38.44 78.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.57 -37.32 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.48 -45.1 95.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 34.9 mt -69.94 -30.58 68.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.88 -35.58 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -60.75 -37.94 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -139.73 55.86 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.17 -39.69 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.9 t -175.67 47.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -177.23 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -69.68 66.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 40.2 p -109.38 -23.3 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 101.45 -22.37 39.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 484' ' ' LEU . 2.1 mm? -98.54 139.2 34.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.728 0.299 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.1 t -71.77 162.98 28.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.0 p -57.88 -35.84 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.38 -43.99 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.794 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.42 -40.38 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 45.1 m -60.3 -42.55 95.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.11 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.33 -42.74 87.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 29.2 t -76.36 -48.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.03 -31.88 73.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -68.7 -42.47 77.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -73.79 -41.72 62.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.7 tt -65.86 -44.82 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.049 0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.45 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 55.7 mt -69.95 -29.52 66.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -54.2 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 111.037 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -77.28 -15.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.491 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 27.6 tp -46.06 -28.89 1.3 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.789 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.428 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 22.1 p30 43.54 51.65 7.67 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.565 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 87.4 Cg_endo -77.57 146.63 24.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 53.8 mp0 -65.86 136.14 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -90.34 131.44 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -132.91 132.24 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.7 mtp -88.8 105.94 18.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -121.26 127.47 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.55 40.12 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 58.68 38.66 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -147.03 153.43 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.1 mtt -77.86 124.25 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 60.6 m80 -127.53 150.02 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.41 ' CE2' HG22 ' A' ' 470' ' ' THR . 83.7 m-85 -107.21 134.66 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 30.4 t -147.96 141.04 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.63 138.29 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -117.61 94.87 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.906 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 3.4 m 58.91 77.84 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 2.2 m -174.44 37.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 23.1 m -59.45 -37.86 79.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.31 -35.55 75.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.66 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.22 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -58.12 -43.07 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.014 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -68.08 -36.78 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 95.1 mtp -61.3 -42.56 98.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.1 -46.69 10.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.256 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -58.03 -46.71 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.083 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.18 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 9.4 tt -69.01 -46.8 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.76 -33.35 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.47 -27.53 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.44 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.4 -49.9 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.316 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . . . . . . . . . 26.7 tp -71.75 -37.67 70.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.649 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' B' ' 959' ' ' ASP . 41.3 p-10 -57.78 -21.78 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.342 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' B' ' 958' ' ' ASN . 49.6 t0 -78.12 -55.29 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.0 OUTLIER -63.39 -33.83 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.723 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.786 0.327 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.2 p -107.33 135.99 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -134.94 163.9 28.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.82 129.13 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 49.4 m -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.36 -34.81 74.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.31 -41.77 85.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -67.73 -37.87 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.63 -47.15 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -60.49 -42.26 95.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.23 -38.92 84.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.417 ' CE2' ' HE2' ' A' ' 476' ' ' LYS . 21.8 m-85 -67.77 -45.66 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.37 -35.64 81.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -32.93 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -77.02 -49.31 15.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 146.43 28.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.2 128.9 12.54 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.595 2.197 . . . . 0.0 112.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.1 mtm -131.67 154.52 48.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 13.7 p -81.23 162.99 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 9.5 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -59.22 -41.66 89.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.8 -41.86 97.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.38 -38.8 85.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -49.19 25.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -66.27 -31.86 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.417 ' HE2' ' CE2' ' A' ' 462' ' ' TYR . 51.4 tttt -57.07 -26.97 61.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.443 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -119.0 -48.09 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.507 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -53.76 -46.65 71.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.469 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 17.2 p -97.8 25.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.21 -76.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -153.95 28.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 71.9 p -75.46 124.09 26.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -76.84 -21.14 75.03 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.682 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -79.94 157.93 26.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -58.1 160.7 4.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.8 p -59.41 -37.15 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -67.88 -44.71 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.13 -38.42 90.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 27.5 m -59.37 -41.38 89.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.2 t -64.45 -42.74 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -58.34 -42.98 88.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 29.5 t -63.17 -47.35 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 26.4 mt -70.08 -39.72 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -60.82 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.287 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -36.76 77.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.422 HG23 HD13 ' A' ' 496' ' ' ILE . 0.3 OUTLIER -78.03 -49.54 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' B' ' 957' ' ' LEU . 1.0 OUTLIER -66.52 -30.21 70.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.313 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -47.7 -46.94 30.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -79.4 -15.84 57.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.47 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 42.5 tp -51.22 -46.13 62.16 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.458 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 0.4 OUTLIER 57.06 49.04 3.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.969 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.47 ' HD3' ' HB3' ' A' ' 500' ' ' LEU . 74.1 Cg_endo -74.7 140.96 27.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.506 2.137 . . . . 0.0 112.338 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.9 143.46 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.782 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -95.5 126.4 40.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -132.23 144.1 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 59.3 ttp -103.53 104.27 14.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.49 131.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.8 38.57 21.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 57.19 35.62 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.89 148.9 41.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 94.3 mmm -78.89 114.81 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.54 148.19 44.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -107.32 128.27 54.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.3 t -149.45 147.94 28.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.95 155.05 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.79 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -106.16 94.78 5.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.961 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 22.7 m -59.39 -36.88 76.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 86.3 p -62.25 -30.91 71.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 24.8 m -59.79 -33.48 71.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.14 -36.54 73.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.97 89.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.76 -34.98 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.36 -35.24 75.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 97.1 mtp -67.14 -37.89 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.11 -53.04 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.688 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -33.14 66.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.474 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.83 -58.05 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.428 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.94 -45.19 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.51 -33.51 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.01 95.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -69.91 -42.79 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.074 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.45 HD11 ' HD2' ' A' ' 502' ' ' PRO . 4.5 mm? -70.0 -31.1 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -59.52 -23.17 62.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -67.72 -36.84 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.11 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' B' ' 957' ' ' LEU . 1.4 mt -58.78 -35.46 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.407 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.46 136.75 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -107.25 155.18 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.4 t -108.44 135.47 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 13.1 t -133.04 154.56 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.07 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.71 -42.11 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.28 -41.05 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.19 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.41 -44.68 77.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -60.4 -39.85 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -57.83 -37.6 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.7 -39.52 91.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.11 -43.28 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 43.6 p -60.34 -34.17 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -79.88 -51.09 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -146.07 137.64 13.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.46 124.48 9.41 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.466 2.111 . . . . 0.0 112.287 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 11.4 ptp -135.4 156.64 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.411 HG21 ' CD2' ' A' ' 512' ' ' HIS . 29.2 p -81.06 170.26 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.448 ' CG2' ' CE2' ' A' ' 513' ' ' PHE . 4.7 p -58.48 -38.07 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -57.66 -45.05 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.49 -38.12 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.18 -43.32 87.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.94 -49.01 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -60.32 -39.78 88.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -38.84 85.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.58 24.72 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -128.18 -61.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 66.7 p -60.22 -31.44 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -73.27 144.61 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -60.15 101.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.2 p -111.63 -24.0 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 107.31 -26.36 18.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 50.9 mt -100.46 149.69 23.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.7 m -58.8 158.06 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 9.6 t -58.2 -38.9 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -72.13 -38.28 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.09 -40.59 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 90.9 m -61.98 -44.04 97.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 34.9 t -62.68 -41.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -60.9 -50.22 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.55 -48.13 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.237 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 23.7 tp -59.68 -35.26 74.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.58 91.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.941 0.4 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.7 -41.35 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 2.3 tt -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.543 ' O ' ' CD1' ' B' ' 957' ' ' LEU . 3.0 mt -74.57 -43.6 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.479 ' HA ' HD11 ' B' ' 957' ' ' LEU . 0.1 OUTLIER -47.4 -43.85 23.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.352 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.07 -15.96 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.205 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.481 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 2.3 tt -58.06 -44.43 87.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.419 ' HA ' ' CD1' ' B' ' 960' ' ' LEU . 0.1 OUTLIER 56.49 56.35 8.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.285 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 500' ' ' LEU . 73.3 Cg_endo -76.37 151.87 33.95 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.192 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.07 135.89 57.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.776 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.59 119.22 38.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -132.84 144.84 50.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.6 mtp -90.57 112.3 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.37 120.96 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.7 43.0 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 59.75 37.11 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.97 152.37 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 50.3 ttm -87.74 117.91 26.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.411 ' CD2' HG21 ' A' ' 469' ' ' THR . 61.7 m80 -127.3 146.8 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.448 ' CE2' ' CG2' ' A' ' 470' ' ' THR . 91.8 m-85 -106.01 132.34 52.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.0 p -127.98 152.97 47.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 15.1 mt -133.87 144.71 49.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -132.01 94.92 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.899 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 23.1 t -59.36 -39.13 82.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 54.0 m -128.43 133.09 48.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 21.7 m -62.84 -40.73 98.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.91 -30.11 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.2 96.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.14 -46.08 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -74.97 -27.15 60.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 40.7 ttm -56.99 -39.18 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.035 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.95 -44.97 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -58.5 -34.2 70.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.17 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.21 -46.63 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -32.02 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.27 90.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.34 -43.01 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.543 ' CD1' ' O ' ' A' ' 497' ' ' LEU . 12.2 tp -69.0 -28.72 66.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -17.79 50.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.389 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.719 0.295 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' B' ' 957' ' ' LEU . 1.7 mt -59.61 -39.53 84.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.965 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.796 0.332 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.3 t -120.57 133.9 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -126.0 156.77 39.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.51 129.63 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 56.5 m -128.86 143.65 50.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -59.24 -37.67 78.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.4 -41.95 99.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.992 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.7 78.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.33 -37.73 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -58.33 -35.67 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -58.31 -37.67 75.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -67.7 -41.65 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.024 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.64 -43.0 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 71.1 p -62.17 -26.08 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.071 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -74.13 -63.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -146.02 154.36 50.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 0.401 ' CB ' ' CD1' ' A' ' 507' ' ' ILE . 41.6 Cg_exo -56.87 133.6 59.05 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.583 2.189 . . . . 0.0 112.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -145.33 144.55 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 21.3 p -85.07 168.06 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.42 HG21 ' CE2' ' A' ' 513' ' ' PHE . 18.6 p -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.8 -36.73 77.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.67 -34.05 75.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 56.8 mt -78.02 -34.97 50.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.33 -40.38 36.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -29.83 63.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.159 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -62.63 -36.66 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.026 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 477' ' ' PHE . 4.3 m-85 -127.18 30.44 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -69.34 -47.33 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 63.8 p -139.14 27.72 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -97.44 147.88 23.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -64.84 109.78 2.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 2.2 p -150.63 23.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 81.23 -58.0 4.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 40.0 mt -81.31 142.78 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 3.1 p -81.2 179.32 7.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 14.8 m -58.32 -40.71 82.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -46.21 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.26 -35.17 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 48.6 m -59.25 -46.02 89.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 33.9 t -64.42 -41.32 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -59.44 -44.82 92.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 36.5 t -70.88 -49.79 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.205 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.25 -35.5 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.77 88.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -75.17 -43.6 51.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.2 tt -64.8 -44.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.455 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 73.2 mt -71.63 -26.92 62.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.051 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' B' ' 957' ' ' LEU . 0.0 OUTLIER -47.43 -53.62 13.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.904 0.383 . . . . 0.0 111.366 -179.652 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -79.57 -15.23 58.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 497' ' ' LEU . 44.6 tp -45.51 -55.15 6.53 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.478 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 54.4 t30 60.88 49.71 1.89 Allowed Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 110.871 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 72.5 Cg_endo -75.43 166.26 29.03 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.626 2.217 . . . . 0.0 112.37 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -90.98 141.52 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -108.07 130.94 55.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -131.7 144.49 51.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.0 mtp -85.36 105.14 15.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.401 ' CD1' ' CB ' ' A' ' 467' ' ' PRO . 47.2 mt -118.1 123.54 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.78 41.83 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 59.19 33.52 22.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -142.86 153.16 42.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 59.9 ttp -84.77 126.15 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -128.67 151.78 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.43 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 24.1 m-85 -105.78 127.39 53.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 7.8 t -154.62 142.56 20.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 156.46 45.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.626 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -102.91 121.09 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.937 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 23.0 t 59.28 91.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.948 0.404 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 88.0 p -123.54 154.81 38.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.79 -76.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.94 -36.63 84.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.96 -43.37 95.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.64 -39.86 88.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 98.2 mtp -62.0 -40.02 94.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -84.5 -28.36 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -56.65 -39.77 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -81.53 -42.26 20.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 9.5 tt -63.11 -41.96 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.88 -36.01 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.02 -30.96 72.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.55 -37.15 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.478 HD12 HD23 ' B' ' 960' ' ' LEU . 5.2 mp -101.98 -9.96 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.495 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -57.82 -34.43 69.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.821 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -104.39 -21.63 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.155 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.478 HD23 HD12 ' B' ' 957' ' ' LEU . 7.0 tp -54.13 -34.02 59.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.1 ttp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.895 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.764 0.316 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.93 130.09 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -113.9 116.24 28.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 4.1 m -68.62 124.18 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 23.4 p -131.38 152.76 50.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.95 -40.01 90.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -59.78 -42.39 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.02 78.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.6 t -61.4 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -61.52 -32.51 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.07 -39.57 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.419 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 95.3 m-85 -70.64 -44.27 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 4.9 mp -68.96 -34.79 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -60.68 -27.49 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -72.82 -59.63 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -146.07 158.32 48.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.8 136.81 73.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.504 2.136 . . . . 0.0 112.208 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.8 mtp -136.19 150.27 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 28.4 p -98.17 162.85 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.446 ' CG2' ' CE1' ' A' ' 513' ' ' PHE . 39.4 p -55.25 -45.3 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -62.21 -38.14 88.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.97 -39.85 91.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.95 -40.82 95.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -42.29 87.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -62.19 -30.3 70.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 49.0 tptt -56.81 -31.03 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 476' ' ' LYS . 98.3 m-85 -148.0 42.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -73.63 -69.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 59.3 p -114.25 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.236 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -90.65 147.98 22.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -69.4 101.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 72.4 p -130.17 6.71 4.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.319 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 94.67 -27.26 14.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 55.3 mt -108.08 145.47 34.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.347 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 m -64.02 160.3 18.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 4.6 t -58.62 -38.59 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.84 -33.8 75.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 47.7 m -58.94 -40.86 85.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 28.6 t -61.45 -41.02 88.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -60.77 -46.25 91.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.6 t -69.17 -50.09 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.7 -31.1 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -65.86 -41.19 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -77.46 -43.49 32.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.8 tt -61.55 -44.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.071 0.462 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.45 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 3.1 mt -61.2 -40.77 95.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.49 ' O ' HD13 ' B' ' 960' ' ' LEU . 1.3 mtpt -47.66 -46.88 29.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 0.0 111.414 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -79.92 -15.76 56.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.677 0.275 . . . . 0.0 111.368 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.469 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 30.5 tp -47.93 -36.48 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.478 ' HA ' HD22 ' B' ' 960' ' ' LEU . 2.1 m-80 48.87 47.63 5.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.361 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 500' ' ' LEU . 92.0 Cg_endo -79.15 176.97 9.18 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.342 2.028 . . . . 0.0 112.461 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -108.28 142.3 38.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -96.7 126.19 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.988 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -133.39 136.98 45.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.4 ttm -95.82 111.03 23.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 41.4 mt -119.27 119.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 57.69 43.32 22.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 61.4 36.86 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -138.88 151.69 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 63.6 mtt -85.35 125.42 32.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -132.28 146.25 51.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.446 ' CE1' ' CG2' ' A' ' 470' ' ' THR . 81.4 m-85 -111.17 138.96 46.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.8 p -121.46 156.38 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.89 141.61 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -131.99 119.34 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.923 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 4.0 m 59.27 107.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 99.9 p -120.46 152.12 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.3 m -120.49 -74.86 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.17 -36.03 82.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.23 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.46 -40.03 89.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.21 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.9 -39.33 88.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.66 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -58.45 -42.95 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.48 88.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.32 -37.76 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.75 -44.49 96.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.383 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.91 -39.58 94.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 497' ' ' LEU . 9.4 tp -101.03 -9.63 21.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.83 -41.56 67.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -68.41 -33.87 75.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 498' ' ' LYS . 9.0 tt -59.41 -33.54 71.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 3.9 tpp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.942 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 46.6 p30 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.7 t -111.88 133.9 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -120.94 156.6 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.97 133.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 41.3 p -126.21 154.97 42.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . 0.401 ' N ' ' CD1' ' A' ' 496' ' ' ILE . 84.1 tt0 -65.77 -34.99 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -58.15 -35.48 71.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.67 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.14 -41.67 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -58.9 -39.65 82.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.82 -35.72 79.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -66.73 -44.74 80.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.063 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.2 -37.01 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -30.89 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -82.62 -56.55 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -146.05 146.78 29.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -55.93 143.28 82.86 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.564 2.176 . . . . 0.0 112.25 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 92.0 mmm -137.27 166.05 24.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.45 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.9 p -114.8 166.55 11.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 20.2 p -59.27 -46.4 88.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -60.71 -36.84 79.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.36 -35.23 78.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 73.5 mt -58.44 -45.14 89.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.61 -34.91 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -60.28 -37.93 81.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.5 -36.39 75.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.71 66.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -66.61 -50.42 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.07 62.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.08 -74.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -154.39 28.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -65.65 -29.52 70.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.86 -27.81 18.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.56 142.18 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.822 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 46.0 m -62.29 166.22 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 30.3 m -56.63 -39.49 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.0 -42.66 94.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.95 -37.69 84.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 33.7 m -59.84 -36.9 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.86 -36.52 72.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -58.75 -46.3 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.08 -46.13 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -30.15 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.99 -37.57 69.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -77.45 -42.41 36.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.9 tt -59.89 -44.57 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.839 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.45 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 9.7 mt -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.958 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' B' ' 960' ' ' LEU . 16.3 tptt -47.71 -45.19 28.35 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 120.892 0.377 . . . . 0.0 111.242 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -80.13 -15.99 55.9 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.389 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.08 -55.0 38.24 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.6 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 2.3 t-20 61.41 53.29 2.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.6 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 15.2 Cg_exo -68.12 176.01 5.96 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.407 2.071 . . . . 0.0 112.289 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -111.71 130.44 55.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -68.42 138.59 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -151.01 122.12 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.794 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.6 mtp -85.55 107.48 17.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -125.53 126.84 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 58.15 41.21 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 58.34 38.79 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . 0.416 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 6.9 ttpm? -145.73 155.18 42.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.7 ttp -82.67 128.54 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.45 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 67.2 m80 -134.34 157.57 46.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -111.76 138.17 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.9 p -131.63 147.78 52.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 19.6 mt -122.16 145.4 48.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -125.22 94.81 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.403 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 99.0 p -119.95 150.55 40.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 33.7 t 56.76 25.39 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.4 m -92.71 -40.0 10.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.53 -37.94 85.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.3 63.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.07 -43.05 99.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.45 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 15.9 ttt -60.47 -41.96 95.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.97 -29.43 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -58.01 -48.03 81.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.74 -40.34 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . 0.404 ' CD2' ' CD1' ' A' ' 497' ' ' LEU . 7.9 tt -61.41 -55.72 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.49 -34.78 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.58 -47.59 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.192 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 498' ' ' LYS . 10.5 tp -84.49 -9.68 58.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.46 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -53.85 -47.89 70.53 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.9 -32.43 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.524 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.535 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 1.2 tt -63.8 -34.92 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.754 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.897 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.4 t -116.81 135.52 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -116.96 158.42 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.9 133.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 51.7 m -123.97 135.93 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.11 -38.35 88.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -59.95 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.37 94.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.0 t -64.23 -41.68 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 14.9 ttp-105 -59.13 -38.1 78.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.12 -42.65 86.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -68.02 -44.63 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 39.1 mt -68.9 -37.18 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 17.9 p -67.69 -32.16 72.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -53.07 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.02 138.06 13.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.47 131.75 19.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.525 2.15 . . . . 0.0 112.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 8.2 ptp -132.52 156.9 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.452 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 21.5 p -75.17 165.5 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 32.1 p -58.33 -43.89 88.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -57.51 -40.65 79.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -63.13 -34.52 77.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 55.9 mt -60.09 -43.5 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.64 -47.58 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -55.86 -35.42 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.411 ' HG2' ' CE2' ' A' ' 477' ' ' PHE . 3.5 ttmm -64.89 -33.0 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.411 ' CE2' ' HG2' ' A' ' 476' ' ' LYS . 76.9 m-85 -146.24 71.16 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.135 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -177.24 -59.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 60.0 p -60.18 -30.35 69.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -77.24 163.22 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -63.6 82.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 38.8 p -94.77 -28.34 15.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 102.57 -26.65 23.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -94.07 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.4 m -60.85 151.78 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 59.5 p -61.95 -34.88 76.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -65.38 -44.06 88.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -65.43 -36.78 84.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 38.5 m -60.05 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.76 -44.0 99.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.23 -45.23 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.18 -46.8 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -65.75 -35.3 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.68 -41.76 98.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.202 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.49 -38.07 86.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -51.13 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 500' ' ' LEU . 8.6 mt -59.08 -57.01 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 499' ' ' ARG . 0.0 OUTLIER -48.06 -32.36 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.061 -179.839 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . 0.497 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 38.4 tpt85 -79.76 -25.91 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.468 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 497' ' ' LEU . 4.9 mt -55.91 -43.82 77.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.446 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 7.2 t-20 58.18 51.73 4.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.813 0.34 . . . . 0.0 110.716 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 60.3 Cg_endo -71.96 153.17 58.05 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.696 2.264 . . . . 0.0 112.43 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.98 143.26 55.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.51 117.5 31.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -134.11 140.84 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.5 mtp -100.31 115.52 30.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.3 mt -121.19 125.01 73.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.76 42.13 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 58.97 39.67 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.09 148.24 36.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -76.97 119.12 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.452 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 47.5 m80 -129.52 144.38 51.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.411 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 98.1 m-85 -107.94 132.6 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.7 m -123.72 146.87 47.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 6.1 mt -131.78 141.07 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -124.96 95.01 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.947 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 15.4 m 60.64 54.34 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 36.7 t -112.56 123.05 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 85.9 p -68.7 -36.45 78.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -75.48 -38.74 59.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.94 87.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.76 -35.94 77.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.67 -39.44 84.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 66.1 mtm -63.62 -37.38 87.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -67.71 -43.02 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -59.1 -41.04 87.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.99 63.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.42 -40.35 89.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.07 -39.72 90.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.75 71.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -64.5 -49.58 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.445 ' CD2' ' CD1' ' B' ' 960' ' ' LEU . 4.2 mt -69.8 -28.5 65.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.12 -16.36 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.394 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.81 -32.77 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 111.092 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.445 ' CD1' ' CD2' ' B' ' 957' ' ' LEU . 1.7 mt -58.88 -34.81 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.8 t -116.56 132.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -121.13 150.57 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 48.8 m -129.15 140.85 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.18 -38.32 82.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -60.27 -40.95 92.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.31 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.46 -42.86 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.66 -36.0 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -58.74 -40.27 83.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -68.46 -44.47 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.94 -35.23 80.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.8 p -68.49 -30.03 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -79.34 -60.44 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -145.98 141.38 16.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . 0.4 ' CG ' ' CD1' ' A' ' 507' ' ' ILE . 35.9 Cg_endo -65.04 139.02 59.4 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 76.3 mtp -138.35 152.94 48.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 7.0 p -81.21 162.82 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 37.2 p -57.07 -44.37 83.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -58.21 -45.78 87.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.72 -37.05 82.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.01 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.04 -43.66 91.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . 0.401 ' CD2' ' CG2' ' A' ' 490' ' ' VAL . 28.2 tp -65.93 -50.54 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.998 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -32.03 68.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -61.23 -37.14 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -118.44 25.24 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.227 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 69.0 p -93.97 20.19 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.253 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -95.58 -69.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.49 37.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 82.3 p -77.74 129.33 35.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -60.94 -22.71 60.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 484' ' ' LEU . 2.7 mm? -80.01 148.81 30.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 29.6 t -62.11 164.58 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.1 p -58.98 -39.69 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.07 -43.2 71.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -66.1 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 24.3 m -59.45 -41.47 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.401 ' CG2' ' CD2' ' A' ' 474' ' ' LEU . 25.4 t -62.88 -42.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -57.7 -39.16 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.8 t -73.41 -54.71 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.285 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 2.2 mp -62.94 -45.93 90.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -56.85 -40.18 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.416 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -59.9 -42.04 92.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.454 HG21 HD22 ' A' ' 497' ' ' LEU . 0.8 OUTLIER -78.26 -42.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.34 179.553 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 496' ' ' ILE . 4.0 mm? -56.52 -39.94 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.271 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.538 ' HG3' ' N ' ' A' ' 499' ' ' ARG . 0.0 OUTLIER -65.35 -38.82 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.041 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . 0.538 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 76.1 ttt-85 -80.08 -15.94 56.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.571 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 497' ' ' LEU . 14.1 mt -53.79 -37.73 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.513 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 2.6 m120 59.15 46.16 1.41 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.692 0.282 . . . . 0.0 110.738 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 73.4 Cg_endo -73.65 -178.07 3.51 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.49 2.127 . . . . 0.0 112.392 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.41 160.3 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -107.03 127.41 53.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -132.82 143.75 49.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.17 107.05 18.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.4 ' CD1' ' CG ' ' A' ' 467' ' ' PRO . 43.5 mt -122.27 125.25 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.7 m120 57.96 41.81 23.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 58.87 35.91 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -140.55 153.51 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.9 mtt -85.13 122.44 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -127.73 162.45 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 42.9 m-85 -112.22 142.1 45.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.2 t -144.08 143.49 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.37 123.54 28.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -107.39 130.32 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.849 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 32.2 t -120.24 142.8 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 49.0 m 59.07 41.67 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 23.7 m -58.93 -36.23 74.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.07 -35.29 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.17 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.84 -40.69 89.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.96 -33.72 73.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 99.1 mtp -59.4 -36.83 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.07 -41.04 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.314 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -57.25 -36.77 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.165 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.43 75.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 8.3 tt -66.2 -44.48 83.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.164 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -74.77 -29.34 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -59.73 -34.7 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.324 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -73.53 -49.29 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.19 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 498' ' ' LYS . 5.8 mt -60.43 -26.28 66.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.49 -40.38 78.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -67.87 -48.15 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -68.44 -33.49 74.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.53 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.8 ttp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.919 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 45.5 p30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.774 0.321 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.92 141.59 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -127.76 169.97 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.92 138.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 48.3 m -122.46 144.42 49.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -36.93 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.29 -37.3 77.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.4 -42.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -59.88 -35.63 75.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.32 -39.7 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.47 -42.11 75.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.51 -35.96 81.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -30.38 71.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -75.47 -65.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 140.42 15.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.872 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.04 130.85 41.89 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.453 2.102 . . . . 0.0 112.276 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 46.0 mtm -138.84 148.68 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 6.2 t -83.55 164.88 19.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 36.7 p -52.71 -44.84 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -58.73 -47.61 84.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.999 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -61.65 -36.96 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.013 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.63 -41.97 98.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 10.2 mt -68.62 -35.35 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -60.57 -41.28 94.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -63.01 -35.3 79.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.422 ' CE2' ' CG2' ' A' ' 482' ' ' THR . 0.3 OUTLIER -132.44 55.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.781 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -60.8 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 3.9 t 178.89 39.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -109.13 23.03 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' THR . . . . . 0.422 ' CG2' ' CE2' ' A' ' 477' ' ' PHE . 71.3 p -77.16 -38.25 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 95.62 -27.41 15.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.3 mt -108.12 155.41 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.2 t -59.5 165.67 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 89.6 p -59.18 -31.65 69.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.76 -46.08 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.791 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.46 -37.28 80.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 24.5 m -59.59 -40.81 88.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.9 t -67.29 -33.8 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.98 -58.1 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 495' ' ' GLN . 26.3 t -65.42 -28.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.182 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.18 -38.47 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.586 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.26 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 492' ' ' VAL . 0.4 OUTLIER -72.55 -46.69 53.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.02 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.4 tt -63.01 -44.55 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 12.2 mt -70.39 -26.99 63.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' B' ' 957' ' ' LEU . 14.5 tptp -56.47 -51.06 69.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -79.17 -15.03 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 502' ' ' PRO . 39.7 tp -45.33 -41.41 8.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.523 ' HA ' ' CD2' ' B' ' 960' ' ' LEU . 11.0 t-20 56.44 49.19 4.02 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.774 0.321 . . . . 0.0 110.965 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 71.7 Cg_endo -75.66 -168.31 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.692 2.261 . . . . 0.0 112.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -108.53 161.64 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.588 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -118.83 131.5 56.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -139.88 139.39 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.8 ptp -92.06 99.73 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 40.0 mt -116.82 128.32 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.98 42.3 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 59.26 31.09 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -141.71 151.31 42.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 9.9 mtt -84.66 119.41 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -115.77 166.5 11.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 29.9 m-85 -110.77 139.18 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.9 p -140.79 155.17 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.3 110.19 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -92.86 132.68 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.943 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 45.6 m -62.39 153.62 30.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.334 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 91.5 p -137.43 157.84 45.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 17.7 m -150.44 -58.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -74.54 -29.93 61.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.93 96.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.17 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.87 -30.95 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 22.9 ttt -58.37 -38.56 77.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -86.11 -46.63 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.408 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -57.22 -39.37 75.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.94 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 9.3 tt -67.32 -40.4 85.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -63.21 -45.35 92.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -56.79 -28.35 61.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.44 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.11 -63.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.111 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 957' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' B' ' 960' ' ' LEU . 8.2 tp -63.6 -29.04 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.185 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.24 -31.16 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -67.87 -37.65 82.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 960' ' ' LEU . . . . . 0.523 ' CD2' ' HA ' ' A' ' 501' ' ' ASN . 0.4 OUTLIER -72.61 -30.42 64.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.437 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.8 0.333 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 493' ' ' LEU . 21.9 t -111.03 130.8 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.74 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.2 t -138.71 156.89 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.73 -39.18 87.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.89 -38.55 82.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.74 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.91 -45.61 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.56 HG11 HD21 ' A' ' 497' ' ' LEU . 38.7 t -64.6 -46.42 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.1 -32.52 73.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -42.69 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.3 m-85 -66.07 -44.99 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.463 ' HB2' HD12 ' A' ' 515' ' ' LEU . 74.6 mt -65.31 -36.38 83.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.4 p -67.99 -33.76 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.13 -52.21 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.11 138.78 13.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.68 135.36 48.45 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.483 2.122 . . . . 0.0 112.17 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 82.6 mtp -136.71 167.27 21.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.3 p -105.62 164.77 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.922 HG23 ' CE2' ' A' ' 513' ' ' PHE . 23.2 p -58.16 -43.01 87.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 -40.83 96.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -67.62 -40.34 84.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.58 -44.64 93.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 474' ' ' LEU . 5.7 tt -66.34 -36.65 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.8 -30.27 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -57.21 -38.95 74.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.184 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.11 30.39 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.077 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.707 ' O ' HG23 ' A' ' 479' ' ' THR . 48.9 tt0 -63.91 -49.07 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.8 OUTLIER -169.75 33.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -64.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -130.78 -44.44 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.596 ' HB ' HD23 ' A' ' 484' ' ' LEU . 26.9 p -56.15 118.74 4.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 483' ' ' GLY . . . . . 0.419 ' C ' HD22 ' A' ' 484' ' ' LEU . . . -84.64 54.94 4.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.58 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.596 HD23 ' HB ' ' A' ' 482' ' ' THR . 3.0 mm? -104.42 145.07 30.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 t -59.81 153.63 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 490' ' ' VAL . 20.5 m -57.9 -41.8 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -71.07 -39.92 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.843 ' O ' HG23 ' A' ' 492' ' ' VAL . 66.0 mt-30 -64.98 -42.44 94.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 6.5 m -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 486' ' ' SER . 25.6 t -72.99 -39.7 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.5 -44.05 93.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 488' ' ' GLN . 30.1 t -63.56 -53.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.176 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.735 HD21 HG11 ' A' ' 454' ' ' VAL . 4.0 mm? -67.79 -30.81 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.578 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -64.99 -47.82 76.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.222 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.75 -38.12 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.08 -50.13 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.962 HD12 HD11 ' B' ' 953' ' ' LEU . 52.5 mt -64.85 -49.18 71.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.304 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.757 ' O ' HD23 ' B' ' 960' ' ' LEU . 4.4 tptm -47.66 -40.36 19.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 111.279 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -80.32 -15.84 55.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 0.0 111.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.769 HD23 ' HG3' ' A' ' 502' ' ' PRO . 28.4 tp -56.35 -37.26 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.732 ' HA ' HD22 ' B' ' 960' ' ' LEU . 8.9 p30 44.65 49.17 5.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.707 0.289 . . . . 0.0 111.33 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.769 ' HG3' HD23 ' A' ' 500' ' ' LEU . 71.6 Cg_endo -75.83 -168.39 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.43 2.087 . . . . 0.0 112.405 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -109.06 155.96 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -114.0 137.55 51.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -130.95 145.96 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.7 mtm -87.94 101.4 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.6 mt -118.42 121.72 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 25.3 t30 57.09 42.68 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.33 36.43 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.81 156.12 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 23.7 ptm -87.34 130.79 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -129.8 162.91 27.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.922 ' CE2' HG23 ' A' ' 470' ' ' THR . 97.0 m-85 -106.9 131.61 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.8 p -133.54 147.09 51.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.463 HD12 ' HB2' ' A' ' 463' ' ' LEU . 19.4 mt -132.88 136.43 46.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -127.04 94.93 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.867 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.29 94.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.53 -40.73 92.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.66 -30.31 71.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.526 ' HE3' ' HA ' ' A' ' 486' ' ' SER . 28.1 ttt -56.77 -35.82 69.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.99 -28.44 24.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.301 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -57.44 -36.28 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.09 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 952' ' ' ALA . . . . . 0.495 ' HB3' HG11 ' A' ' 490' ' ' VAL . . . -59.83 -40.48 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.139 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 497' ' ' LEU . 20.8 tp -65.76 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.41 -33.72 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.48 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 956' ' ' GLU . . . . . 0.578 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.1 mm-40 -71.13 -61.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 1.028 HD23 HD21 ' B' ' 960' ' ' LEU . 27.2 mt -60.46 -19.62 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.333 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -55.37 -27.87 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.341 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -68.02 -63.39 1.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 1.028 HD21 HD23 ' B' ' 957' ' ' LEU . 3.9 pp -56.65 -27.56 58.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.129 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 961' ' ' MET . . . . . 0.64 ' N ' HD12 ' B' ' 960' ' ' LEU . 43.9 mtt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.3 134.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.549 HG22 ' H ' ' A' ' 457' ' ' ASP . 42.6 m -97.32 137.65 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.59 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.5 tt0 -59.52 -35.43 74.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.549 ' H ' HG22 ' A' ' 455' ' ' THR . 92.1 m-20 -59.64 -38.0 80.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.35 -48.86 76.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.737 HG13 HD23 ' A' ' 473' ' ' LEU . 25.7 t -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.68 ' HG3' HD13 ' A' ' 515' ' ' LEU . 60.8 ttp180 -60.45 -37.5 81.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -57.68 -40.53 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 72.7 m-85 -66.55 -47.72 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.04 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.653 HD21 HD11 ' A' ' 473' ' ' LEU . 73.0 mt -67.62 -39.28 84.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 17.3 p -66.65 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -77.27 -50.01 13.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.08 145.57 25.07 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.36 122.13 7.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.0 112.339 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 66.5 mtm -136.33 160.1 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 511' ' ' MET . 22.2 p -87.49 167.06 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.867 HG23 ' CE1' ' A' ' 513' ' ' PHE . 32.7 p -54.89 -44.04 73.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.628 ' HA ' ' HB2' ' B' ' 950' ' ' ALA . 36.6 mttm -57.28 -40.45 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.94 -41.37 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.737 HD23 HG13 ' A' ' 459' ' ' VAL . 4.3 mp -66.35 -43.48 85.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.692 HD11 HG22 ' A' ' 490' ' ' VAL . 4.3 mm? -62.42 -44.84 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -54.97 -35.75 64.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -60.69 -38.93 86.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.6 32.87 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.717 ' O ' HG23 ' A' ' 479' ' ' THR . 51.1 tt0 -60.16 -44.65 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.7 OUTLIER -170.62 34.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -61.13 -68.41 0.31 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.57 29.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 70.3 p -78.32 -29.41 47.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 74.28 17.31 79.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.609 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 mt -120.02 144.56 47.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.0 t -65.76 167.17 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.794 ' O ' HG23 ' A' ' 490' ' ' VAL . 10.2 t -56.83 -40.38 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -69.05 -42.22 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.8 -43.58 83.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 31.6 m -62.27 -44.79 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 486' ' ' SER . 40.2 t -71.36 -33.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.21 -44.17 88.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 31.2 t -73.29 -49.65 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 497' ' ' LEU . 19.4 mt -63.34 -36.84 85.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.09 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.65 -41.28 68.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.24 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 456' ' ' GLU . 5.3 tt -67.63 -44.29 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.095 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.848 ' O ' HD21 ' B' ' 957' ' ' LEU . 5.9 mt -72.41 -36.53 68.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.847 ' O ' HD11 ' B' ' 960' ' ' LEU . 4.2 tmtt? -47.63 -45.06 27.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 111.315 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -79.3 -16.0 57.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.401 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 1.007 HD21 HD11 ' A' ' 515' ' ' LEU . 26.8 tp -55.23 -41.29 71.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.692 0.282 . . . . 0.0 111.645 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.772 ' CB ' HD22 ' B' ' 960' ' ' LEU . 15.9 t-20 55.04 51.56 7.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.77 ' HD2' HD22 ' B' ' 957' ' ' LEU . 72.0 Cg_endo -76.43 170.55 19.75 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.574 2.182 . . . . 0.0 112.381 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.28 160.78 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -128.32 129.72 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.77 148.46 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 21.9 ttt -88.95 107.67 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.428 ' HB ' ' CE1' ' A' ' 512' ' ' HIS . 33.2 mm -116.61 115.88 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 55.6 46.49 22.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 61.06 36.61 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -144.64 156.2 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.761 ' O ' HG22 ' A' ' 469' ' ' THR . 75.8 mtm -87.64 126.63 35.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.428 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 4.3 m80 -121.23 150.76 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 470' ' ' THR . 81.8 m-85 -107.06 127.57 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 22.7 t -133.03 142.54 48.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 1.007 HD11 HD21 ' A' ' 500' ' ' LEU . 5.4 mt -125.22 141.12 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -114.66 94.98 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.82 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.47 -37.36 87.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.37 -31.43 72.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.785 ' HA ' HG21 ' A' ' 490' ' ' VAL . 36.5 mtp -58.47 -48.47 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 471' ' ' LYS . . . -86.11 -32.65 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -57.53 -50.1 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.67 -31.9 67.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.639 HD11 ' CD1' ' A' ' 497' ' ' LEU . 4.6 tp -63.65 -44.59 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.411 ' HB2' HG21 ' A' ' 470' ' ' THR . 84.7 tt0 -71.73 -31.87 67.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.11 88.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.68 -40.66 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.848 HD21 ' O ' ' A' ' 497' ' ' LEU . 10.1 mt -75.48 -24.28 56.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -61.48 -17.35 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.71 -47.79 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 111.291 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 498' ' ' LYS . 0.5 OUTLIER -60.35 -35.25 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.93 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 477' ' ' PHE . 29.2 t -96.91 132.21 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 459' ' ' VAL . 17.2 p -124.3 155.08 39.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.5 tt0 -65.89 -41.12 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -61.82 -40.35 94.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.77 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.64 HG13 HD21 ' A' ' 473' ' ' LEU . 39.5 t -67.63 -37.72 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.901 ' O ' HG23 ' A' ' 464' ' ' THR . 61.6 ttp180 -58.18 -39.38 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -58.2 -34.88 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -64.44 -42.79 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.69 -37.83 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 460' ' ' ARG . 15.9 p -61.16 -33.21 73.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -79.35 -61.56 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.0 150.23 41.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 0.413 ' HB2' HD11 ' A' ' 507' ' ' ILE . 37.3 Cg_endo -66.05 129.17 21.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.197 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.453 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 76.5 mtp -137.29 158.84 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 473' ' ' LEU . 1.3 t -101.75 159.41 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.563 ' CG2' HD22 ' B' ' 953' ' ' LEU . 35.8 p -55.67 -44.11 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.423 ' HB2' ' HB1' ' B' ' 950' ' ' ALA . 86.6 tttt -56.58 -38.12 71.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 472' ' ' ASP . . . . . 0.453 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 50.3 t0 -61.08 -37.19 81.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.64 HD21 HG13 ' A' ' 459' ' ' VAL . 6.8 mp -66.95 -40.62 87.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.682 HD13 ' HG2' ' B' ' 949' ' ' MET . 40.0 mt -59.37 -40.05 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.89 -37.04 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -62.12 -39.4 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.426 ' CE1' HG22 ' A' ' 454' ' ' VAL . 96.3 m-85 -87.78 -72.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 58.48 52.54 6.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 11.6 p 55.24 45.36 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.196 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 482' ' ' THR . 47.9 tttp -98.06 118.69 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 481' ' ' LYS . . . . . 0.507 ' C ' HG23 ' A' ' 482' ' ' THR . 0.0 OUTLIER 53.42 -160.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.777 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.507 HG23 ' C ' ' A' ' 481' ' ' LYS . 1.3 p 72.29 -59.95 0.54 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 483' ' ' GLY . . . . . 0.513 ' C ' HD22 ' A' ' 484' ' ' LEU . . . 106.12 20.87 8.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.643 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 484' ' ' LEU . 3.1 mm? -110.05 134.52 52.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 65.0 p -68.0 167.92 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 490' ' ' VAL . 24.7 m -56.68 -41.41 77.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -68.85 -41.48 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.42 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.591 HG22 HD12 ' A' ' 493' ' ' LEU . 38.3 m -59.62 -41.21 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 486' ' ' SER . 31.6 t -64.85 -35.9 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.04 -45.99 89.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.45 -49.98 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.693 ' HB3' HD11 ' B' ' 953' ' ' LEU . 18.1 mt -62.83 -39.5 94.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.429 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -62.84 -46.01 89.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -70.76 -40.4 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 456' ' ' GLU . 3.5 tt -71.61 -43.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 1.007 HD13 HD21 ' B' ' 953' ' ' LEU . 18.0 mt -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.778 ' O ' HD11 ' B' ' 960' ' ' LEU . 12.0 tptm -53.04 -51.13 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.28 -15.54 56.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.796 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 497' ' ' LEU . 0.2 OUTLIER -45.65 -27.93 0.89 Allowed 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.21 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.719 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER 50.06 48.64 6.26 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.356 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.934 ' HG3' HD21 ' B' ' 957' ' ' LEU . 88.7 Cg_endo -83.56 138.2 8.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.29 1.993 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.13 137.73 55.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -84.41 128.45 34.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -141.68 131.61 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.31 124.04 38.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.045 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 467' ' ' PRO . 45.0 mt -115.27 119.43 61.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.9 m120 63.25 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -160.12 29.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -135.23 155.33 50.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.6 ttp -86.45 126.4 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -131.57 166.3 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 79.0 m-85 -119.71 156.12 31.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 85.8 p -146.72 153.78 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.709 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.2 OUTLIER -140.08 127.14 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -97.46 129.74 44.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.922 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.843 0.354 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.95 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.01 -43.44 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.76 -31.08 70.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.682 ' HG2' HD13 ' A' ' 474' ' ' LEU . 0.7 OUTLIER -57.69 -37.47 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 471' ' ' LYS . . . -86.06 -51.05 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -58.13 -41.22 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 497' ' ' LEU . 9.1 tt -67.92 -40.12 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.04 -38.72 92.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -55.37 -27.02 44.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.385 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 956' ' ' GLU . . . . . 0.429 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.2 mm-40 -80.16 -59.88 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.19 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.934 HD21 ' HG3' ' A' ' 502' ' ' PRO . 10.8 tp -65.71 -31.41 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.2 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -57.72 -20.22 32.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.206 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.778 HD11 ' O ' ' A' ' 498' ' ' LYS . 11.7 mt -55.14 -39.56 69.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.91 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.775 0.321 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.518 HG11 HD21 ' A' ' 493' ' ' LEU . 22.5 t -101.66 129.71 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 457' ' ' ASP . 29.2 m -130.49 144.61 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.413 ' HB2' HD13 ' A' ' 496' ' ' ILE . 85.6 tt0 -59.11 -36.2 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.514 ' H ' HG22 ' A' ' 455' ' ' THR . 22.0 t70 -59.46 -39.1 82.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.84 94.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.94 -43.65 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.29 -36.42 75.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -57.75 -42.67 84.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -68.1 -45.15 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 513' ' ' PHE . 35.2 mt -66.54 -35.49 80.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -65.96 -31.91 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -77.46 -56.96 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.09 149.06 37.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.25 132.68 21.38 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.641 2.227 . . . . 0.0 112.276 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 62.4 mtm -141.04 155.16 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 11.1 t -84.82 167.81 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' THR . . . . . 1.054 HG22 HD23 ' B' ' 953' ' ' LEU . 0.5 OUTLIER -57.97 -38.04 75.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -59.46 -42.75 92.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.08 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.75 -41.61 91.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 950' ' ' ALA . 26.8 mt -69.32 -31.55 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -56.08 -26.81 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 75.8 mmtt -57.26 -36.74 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.026 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' A' ' 482' ' ' THR . 87.0 m-85 -157.15 47.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -72.34 -42.7 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 57.1 p -126.96 27.73 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' LYS . . . . . 0.44 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 61.7 mttp -98.07 148.47 23.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 83.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.467 HG21 ' HB3' ' A' ' 477' ' ' PHE . 36.1 p -112.33 25.47 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.034 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 77.15 -60.89 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 mt -80.2 144.69 32.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 53.1 p -67.3 163.47 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.7 m -58.61 -38.14 77.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -67.14 -47.37 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.1 -32.28 73.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.427 ' O ' HD23 ' A' ' 493' ' ' LEU . 45.6 m -57.69 -41.19 81.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.41 -41.81 93.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -60.74 -46.56 89.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.87 -46.28 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 497' ' ' LEU . 3.8 mm? -62.34 -43.55 98.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.52 71.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.281 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -60.83 -41.08 95.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.566 HG22 HD22 ' A' ' 497' ' ' LEU . 0.9 OUTLIER -78.32 -42.11 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 121.041 0.448 . . . . 0.0 110.648 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.628 ' CD1' HD22 ' A' ' 500' ' ' LEU . 3.5 mm? -68.45 -35.07 77.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.294 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.608 ' O ' HD21 ' B' ' 960' ' ' LEU . 14.4 tptt -47.94 -55.2 10.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.567 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.69 -15.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.072 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 515' ' ' LEU . 32.3 tp -45.36 -56.09 5.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.857 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.571 ' CA ' HD13 ' B' ' 960' ' ' LEU . 23.4 t-20 55.95 51.02 5.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.688 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.0 Cg_endo -76.3 158.02 37.17 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.675 2.25 . . . . 0.0 112.181 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -57.93 132.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.706 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -97.32 99.02 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.197 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -107.26 148.11 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' MET . . . . . 0.44 ' O ' HD13 ' A' ' 507' ' ' ILE . 2.8 tpp -96.71 108.96 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 506' ' ' MET . 33.8 mm -122.07 121.88 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 56.93 43.57 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.88 29.8 19.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -134.86 149.39 50.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 65.7 mtt -79.65 112.61 17.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -110.79 144.65 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.79 ' CE2' HG23 ' A' ' 470' ' ' THR . 76.9 m-85 -105.71 136.89 44.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 10.9 t -142.65 141.39 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 500' ' ' LEU . 17.6 mt -122.68 137.68 54.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -118.97 94.96 4.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.96 92.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.46 -39.75 88.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.31 -37.37 87.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 70.6 mtm -61.0 -38.17 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 474' ' ' LEU . . . -75.68 -46.44 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.51 -36.77 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.057 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.07 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 1.054 HD23 HG22 ' A' ' 470' ' ' THR . 4.2 tp -68.45 -35.14 77.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.74 -55.41 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.145 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.93 61.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.26 -39.09 72.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.209 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.536 HD13 HD12 ' B' ' 960' ' ' LEU . 0.4 OUTLIER -88.96 -10.09 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.372 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.2 -32.15 54.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -67.98 -31.53 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 498' ' ' LYS . 32.4 mt -58.49 -34.15 70.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 36.0 ttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.85 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.828 0.347 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.66 135.15 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.761 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.3 t -135.5 152.0 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.512 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.61 -39.6 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.761 ' H ' HG23 ' A' ' 455' ' ' THR . . . -63.08 -41.45 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.412 HG11 HD21 ' A' ' 497' ' ' LEU . 32.4 t -65.31 -41.71 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.556 ' HG3' HD22 ' A' ' 515' ' ' LEU . 41.9 ttp180 -59.13 -40.56 85.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -60.64 -40.74 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.65 -45.57 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.29 -35.44 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -64.36 -31.15 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -81.75 -59.67 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -146.02 150.07 40.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.65 138.42 45.33 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 112.268 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.401 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 89.6 mtp -132.61 150.87 52.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 511' ' ' MET . 43.7 p -91.37 165.45 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.924 HG23 ' CE1' ' A' ' 513' ' ' PHE . 35.4 p -57.53 -44.76 85.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -60.17 -44.34 95.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' ASP . . . . . 0.401 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 49.2 t0 -59.03 -37.66 77.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.63 -42.26 87.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.591 HD21 HG22 ' A' ' 490' ' ' VAL . 0.2 OUTLIER -73.2 -40.69 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -59.45 -34.72 72.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.804 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -59.55 -34.82 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.63 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.432 ' CD2' ' HD3' ' A' ' 480' ' ' LYS . 95.6 m-85 -130.1 39.14 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 479' ' ' THR . 52.6 tt0 -55.74 -43.03 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.8 OUTLIER -158.18 87.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.998 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 480' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 477' ' ' PHE . 13.1 mtpt -124.04 165.93 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.51 65.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.3 p -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 106.71 -26.5 19.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.66 147.61 27.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.3 m -59.5 160.31 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.7 m -57.69 -40.03 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.52 -40.02 88.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.11 -36.02 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.573 HG22 HD13 ' A' ' 493' ' ' LEU . 18.7 m -59.11 -41.37 87.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.591 HG22 HD21 ' A' ' 474' ' ' LEU . 32.3 t -62.93 -38.4 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -58.97 -44.6 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 37.8 t -71.89 -48.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.573 HD13 HG22 ' A' ' 489' ' ' THR . 8.9 mp -64.72 -34.18 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.81 ' HA ' HD12 ' B' ' 953' ' ' LEU . . . -67.86 -45.59 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -71.06 -37.39 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 456' ' ' GLU . 4.6 tt -72.0 -44.82 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.044 0.45 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 1.104 HD12 HD11 ' B' ' 953' ' ' LEU . 18.3 mt -71.56 -43.92 65.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.368 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.988 ' O ' HD11 ' B' ' 960' ' ' LEU . 2.2 tmtt? -47.18 -44.32 21.98 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.687 0.279 . . . . 0.0 111.454 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -79.79 -15.63 57.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.837 0.351 . . . . 0.0 111.196 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 502' ' ' PRO . 17.8 tp -54.6 -41.2 69.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.961 ' HA ' HD13 ' B' ' 960' ' ' LEU . 38.0 m-80 60.29 49.6 2.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.977 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.801 ' HD2' HD22 ' B' ' 957' ' ' LEU . 7.9 Cg_exo -71.22 143.5 44.08 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.186 1.924 . . . . 0.0 112.106 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -61.5 132.43 53.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.437 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -96.49 120.68 37.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 111.096 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -134.04 149.68 51.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.3 ptp -101.45 108.71 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -118.98 127.53 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.82 42.52 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 59.02 35.46 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -143.83 153.39 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 469' ' ' THR . 64.8 mtt -85.86 124.63 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.439 ' ND1' HG23 ' A' ' 469' ' ' THR . 68.9 m-70 -127.76 159.15 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.924 ' CE1' HG23 ' A' ' 470' ' ' THR . 93.1 m-85 -110.12 136.71 48.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.773 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 31.4 t -131.93 150.26 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.556 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -138.47 113.28 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -89.48 132.22 35.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.851 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.824 0.345 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -73.09 -39.08 66.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.56 -38.12 80.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -65.47 -41.99 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 35.5 mtm -68.93 -38.68 79.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.31 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -58.46 -46.67 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.999 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 1.104 HD11 HD12 ' A' ' 497' ' ' LEU . 11.5 tp -68.47 -44.79 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.693 ' HB3' HG21 ' A' ' 470' ' ' THR . 22.3 pt-20 -72.8 -35.83 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.87 -30.79 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -51.36 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.868 HD21 ' O ' ' A' ' 497' ' ' LEU . 31.2 mt -63.99 -29.58 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.121 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 958' ' ' ASN . . . . . 0.555 ' O ' ' HE2' ' B' ' 961' ' ' MET . 98.9 m-20 -57.21 -26.6 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.159 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -67.82 -35.69 79.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.988 HD11 ' O ' ' A' ' 498' ' ' LYS . 8.1 mt -64.81 -26.91 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 961' ' ' MET . . . . . 0.555 ' HE2' ' O ' ' B' ' 958' ' ' ASN . 73.4 mtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 24.5 t -103.87 133.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 457' ' ' ASP . 58.2 m -123.48 140.87 52.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.21 -36.49 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.558 ' H ' HG22 ' A' ' 455' ' ' THR . 89.6 m-20 -59.56 -40.85 88.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.27 92.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.88 -42.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.56 -40.89 88.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 34.9 mtm105 -59.24 -39.42 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -68.73 -46.42 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.675 ' CD1' HD21 ' A' ' 500' ' ' LEU . 44.4 mt -67.01 -36.82 82.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.032 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.0 p -64.26 -30.84 71.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.3 tpt85 -73.93 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 145.67 25.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.77 133.52 57.81 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.512 2.142 . . . . 0.0 112.202 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.432 ' HB2' HD23 ' A' ' 463' ' ' LEU . 85.2 mtp -130.34 150.41 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.439 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.4 p -96.68 169.0 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.517 HG23 ' HE2' ' A' ' 513' ' ' PHE . 67.9 p -57.98 -47.83 81.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.512 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 7.4 mtmp? -63.72 -34.77 78.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -58.98 -36.6 75.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.787 HD13 HD11 ' A' ' 497' ' ' LEU . 71.1 mt -59.77 -46.27 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.29 -35.7 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.22 -41.36 92.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -34.86 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.751 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.81 72.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -75.39 -177.99 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.1 t -55.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' LYS . . . . . 0.712 ' HG3' HG23 ' A' ' 482' ' ' THR . 59.6 pttt -132.31 -171.27 2.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.28 65.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.712 HG23 ' HG3' ' A' ' 480' ' ' LYS . 67.4 p -105.65 -26.08 11.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.3 -25.7 26.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.79 140.33 37.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.771 0.319 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.6 m -65.41 160.33 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 490' ' ' VAL . 19.4 m -58.34 -38.25 76.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.45 -40.91 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.579 ' O ' HG23 ' A' ' 492' ' ' VAL . 93.9 mt-30 -63.97 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.528 HG22 HD13 ' A' ' 493' ' ' LEU . 40.2 m -61.43 -42.48 98.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 486' ' ' SER . 38.9 t -60.31 -43.43 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 488' ' ' GLN . 40.0 t -66.36 -48.77 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.528 HD13 HG22 ' A' ' 489' ' ' THR . 7.8 mp -69.13 -33.44 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.39 82.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -67.22 -36.72 82.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -76.64 -47.99 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.787 HD11 HD13 ' A' ' 473' ' ' LEU . 76.3 mt -60.66 -35.58 76.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.906 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -51.61 -55.14 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.281 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -73.58 -15.86 61.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.301 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.675 HD21 ' CD1' ' A' ' 463' ' ' LEU . 18.9 tp -48.42 -37.94 18.4 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.76 ' HA ' HD21 ' B' ' 960' ' ' LEU . 22.5 t30 60.16 52.52 3.31 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 94.3 Cg_endo -78.92 159.97 27.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.17 130.32 37.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.705 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -92.27 124.13 36.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -128.29 148.04 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -91.89 97.51 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -118.71 121.57 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 5.2 m120 57.95 41.96 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 58.91 37.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -149.49 141.72 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -75.66 124.23 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.439 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 62.9 m80 -121.67 143.3 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.517 ' HE2' HG23 ' A' ' 470' ' ' THR . 87.5 m-85 -101.74 129.04 47.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.1 t -143.43 140.48 30.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 18.1 mt -114.29 138.99 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -124.16 94.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.888 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.849 0.357 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.96 -42.25 90.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.13 -38.48 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.99 -36.79 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.98 -40.77 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -85.51 -29.5 24.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -58.6 -43.52 89.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.1 72.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.774 HD21 HD13 ' A' ' 497' ' ' LEU . 10.1 tt -66.09 -44.67 83.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.79 -38.98 90.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.84 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.72 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.636 ' CD2' HD22 ' B' ' 960' ' ' LEU . 2.5 mt -62.93 -24.07 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.966 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -54.48 -31.91 56.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.969 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -68.01 -44.52 76.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -72.82 -37.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.619 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 961' ' ' MET . . . . . 0.444 ' N ' HD23 ' B' ' 960' ' ' LEU . 15.6 ptp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.436 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.858 0.361 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.89 131.71 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.738 HG23 ' H ' ' A' ' 458' ' ' ALA . 12.7 t -137.34 157.63 46.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.83 -38.27 87.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -59.09 -42.69 91.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.738 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.75 -39.57 93.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 455' ' ' THR . 27.3 t -66.72 -46.11 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.009 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -59.27 -38.78 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.439 ' CZ ' ' HE2' ' A' ' 476' ' ' LYS . 23.1 m-85 -70.34 -44.8 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.98 -34.74 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.2 p -61.7 -24.89 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -80.76 -65.12 1.05 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 150.05 40.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.27 135.57 65.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.227 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 90.2 mtp -134.23 145.07 48.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 42.2 p -90.62 161.53 15.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.639 HG21 ' CB ' ' B' ' 954' ' ' GLU . 42.1 p -58.05 -45.95 86.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -60.93 -43.04 99.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.09 -38.94 92.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.71 -41.07 88.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.711 HD21 HG22 ' A' ' 490' ' ' VAL . 0.4 OUTLIER -64.5 -40.91 96.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.36 -30.09 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.439 ' HE2' ' CZ ' ' A' ' 462' ' ' TYR . 36.6 tttp -58.0 -36.5 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.415 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 74.4 m-85 -133.19 30.44 3.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.509 ' HG3' HG23 ' A' ' 479' ' ' THR . 17.7 pt20 -68.34 -46.38 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.099 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.509 HG23 ' HG3' ' A' ' 478' ' ' GLN . 53.2 p -133.51 26.07 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -79.83 148.97 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -61.88 84.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 43.8 p -116.02 -24.21 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.8 -22.36 35.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.8 mm? -96.15 143.78 26.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.4 m -60.53 160.18 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.9 m -57.43 -42.41 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.72 -40.22 72.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.58 -34.92 78.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.452 HG22 HD12 ' A' ' 493' ' ' LEU . 28.8 m -58.3 -41.78 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' B' ' 949' ' ' MET . 33.8 t -64.64 -39.58 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -58.23 -44.85 88.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.29 -44.92 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 497' ' ' LEU . 18.5 mt -64.21 -39.29 93.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.538 ' HB1' ' HG2' ' B' ' 956' ' ' GLU . . . -64.2 -38.98 92.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -76.98 -44.74 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.2 tt -64.21 -44.64 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.078 0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 1.122 HD13 HD21 ' B' ' 953' ' ' LEU . 6.6 mt -68.98 -31.4 70.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.702 ' O ' HD11 ' B' ' 960' ' ' LEU . 13.0 tptm -47.87 -50.48 26.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -79.96 -15.5 57.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.773 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.742 HD22 HD23 ' A' ' 497' ' ' LEU . 54.1 tp -45.72 -54.0 8.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.633 ' HA ' HD13 ' B' ' 960' ' ' LEU . 4.7 m-20 65.61 48.42 0.62 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.56 ' HG3' HD23 ' A' ' 500' ' ' LEU . 73.8 Cg_endo -74.7 175.97 10.41 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.564 2.176 . . . . 0.0 112.212 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.34 160.46 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.744 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -121.38 126.43 49.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.69 131.76 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -84.97 108.05 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.583 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 45.2 mt -118.76 122.21 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 57.34 43.39 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.07 31.23 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.52 153.25 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.45 ' HE1' ' CZ ' ' A' ' 513' ' ' PHE . 2.8 tmm? -86.83 123.07 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.583 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 66.7 m-70 -124.82 146.6 49.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.45 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 31.7 m-85 -103.83 135.43 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.7 t -145.22 143.58 30.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 502' ' ' PRO . 0.1 OUTLIER -118.6 130.21 55.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -93.92 126.84 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.909 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.75 0.31 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.12 85.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.38 -36.54 82.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.25 -42.56 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.741 ' HB2' HG21 ' A' ' 490' ' ' VAL . 6.3 ptt? -75.13 -31.05 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.36 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -59.04 -39.25 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.51 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 1.122 HD21 HD13 ' A' ' 497' ' ' LEU . 8.8 tt -61.83 -41.09 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.639 ' CB ' HG21 ' A' ' 470' ' ' THR . 85.5 tt0 -65.41 -43.39 90.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.57 74.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 956' ' ' GLU . . . . . 0.538 ' HG2' ' HB1' ' A' ' 494' ' ' ALA . 45.8 tp10 -65.05 -44.42 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.792 HD21 ' O ' ' A' ' 497' ' ' LEU . 2.0 mt -77.11 -29.03 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -55.61 -23.41 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.238 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -67.87 -29.93 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.145 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.702 HD11 ' O ' ' A' ' 498' ' ' LYS . 12.5 mt -52.21 -69.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.846 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' A' ' 477' ' ' PHE . 5.7 m -72.88 129.68 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.1 p -127.82 150.64 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.488 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -68.09 -40.02 82.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.64 -39.88 89.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.34 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.2 -39.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.737 ' HG3' HD13 ' A' ' 515' ' ' LEU . 36.1 ttm180 -59.38 -36.4 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -58.38 -39.72 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.444 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 54.3 m-85 -70.05 -46.21 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.57 HD12 HD12 ' A' ' 515' ' ' LEU . 59.6 mt -67.5 -34.4 77.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.0 p -62.52 -31.22 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -77.0 -59.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -146.11 143.09 18.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.774 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.02 137.78 69.69 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 79.9 mtp -135.83 155.59 50.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.404 HG22 ' CD2' ' A' ' 512' ' ' HIS . 23.0 p -87.75 165.12 15.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.839 HG23 ' CE2' ' A' ' 513' ' ' PHE . 0.8 OUTLIER -57.93 -46.89 84.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.593 ' HE3' ' HB1' ' B' ' 946' ' ' ALA . 86.2 tttt -59.21 -39.76 83.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -62.13 -38.59 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.46 -45.71 89.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.586 HD21 ' CE ' ' B' ' 949' ' ' MET . 28.8 tp -65.8 -33.61 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -58.66 -36.79 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.444 ' HD3' ' CE2' ' A' ' 462' ' ' TYR . 52.2 mttm -59.46 -30.46 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.556 ' O ' HG21 ' A' ' 489' ' ' THR . 98.1 m-85 -131.48 78.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.27 172.91 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.4 t -56.37 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.89 -76.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -134.36 14.22 3.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.2 p -69.24 -28.58 66.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.86 -26.03 26.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 54.3 mt -100.38 145.97 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.5 m -59.58 164.0 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.539 ' HB2' ' HE3' ' B' ' 949' ' ' MET . 86.8 p -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.63 -39.38 73.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.01 -37.17 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.705 HG22 HD12 ' A' ' 493' ' ' LEU . 23.2 m -59.5 -39.58 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.43 -34.61 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -58.55 -46.26 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.0 t -72.44 -47.67 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.705 HD12 HG22 ' A' ' 489' ' ' THR . 9.8 mt -62.99 -38.83 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -77.3 -44.82 28.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 456' ' ' GLU . 4.3 tt -63.46 -45.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.145 0.498 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.666 ' O ' HD21 ' B' ' 957' ' ' LEU . 4.6 mt -66.37 -33.23 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.752 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.737 ' O ' HD11 ' B' ' 960' ' ' LEU . 15.3 tptm -50.4 -48.89 55.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -80.22 -15.52 56.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.671 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.625 HD22 HD23 ' A' ' 497' ' ' LEU . 53.3 tp -45.61 -54.67 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.634 ' HA ' HD13 ' B' ' 960' ' ' LEU . 2.3 t30 66.64 47.65 0.48 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.726 0.298 . . . . 0.0 111.0 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.617 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.4 Cg_endo -75.44 172.04 17.09 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.528 2.152 . . . . 0.0 112.245 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -96.05 131.34 42.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -99.0 129.71 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -133.26 144.3 49.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.11 102.84 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.5 mt -119.99 124.62 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.71 40.88 26.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.31 30.45 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -141.71 140.33 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 125.96 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.404 ' CD2' HG22 ' A' ' 469' ' ' THR . 61.2 m80 -126.71 152.11 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.839 ' CE2' HG23 ' A' ' 470' ' ' THR . 61.4 m-85 -104.46 127.92 52.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.3 t -134.64 134.34 41.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 460' ' ' ARG . 15.3 mt -115.03 140.22 49.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -125.11 94.91 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.878 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 946' ' ' ALA . . . . . 0.593 ' HB1' ' HE3' ' A' ' 471' ' ' LYS . . . -70.29 -36.25 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.82 -45.03 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.4 -33.3 60.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.586 ' CE ' HD21 ' A' ' 474' ' ' LEU . 0.0 OUTLIER -62.82 -43.61 98.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.72 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -58.71 -43.24 90.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.61 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 470' ' ' THR . 1.5 tp -62.11 -50.39 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.603 ' CA ' HG21 ' A' ' 470' ' ' THR . 83.6 tt0 -71.97 -36.52 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.323 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -85.18 -43.84 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 497' ' ' LEU . 0.6 OUTLIER -77.11 -24.88 51.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.731 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -58.22 -19.25 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.383 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 959' ' ' ASP . . . . . 0.401 ' HB3' ' CE ' ' A' ' 498' ' ' LYS . 45.6 t0 -67.79 -31.63 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.236 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.737 HD11 ' O ' ' A' ' 498' ' ' LYS . 15.6 mt -54.87 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 59.5 ttp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.932 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.3 t -109.29 128.42 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 459' ' ' VAL . 22.7 p -129.99 159.83 35.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.473 ' HB2' HD13 ' A' ' 496' ' ' ILE . 86.9 tt0 -63.93 -40.39 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.15 -38.42 86.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.983 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.86 -44.13 90.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 455' ' ' THR . 24.6 t -61.85 -47.46 93.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.833 ' HG3' HD13 ' A' ' 515' ' ' LEU . 26.0 ttm105 -61.81 -36.69 81.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -57.19 -40.55 77.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 79.3 m-85 -69.98 -42.79 72.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.936 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.685 HD13 HD12 ' A' ' 515' ' ' LEU . 7.7 mt -66.68 -34.78 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -64.88 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.51 -59.88 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -146.12 146.09 26.86 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.23 132.54 52.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.516 2.144 . . . . 0.0 112.198 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.55 ' CG ' HD23 ' A' ' 463' ' ' LEU . 7.6 ptm -147.28 148.37 31.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 31.1 p -80.08 162.81 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.702 HG23 ' CD2' ' A' ' 513' ' ' PHE . 1.0 OUTLIER -62.44 -33.52 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.985 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.538 ' HA ' ' HB1' ' B' ' 950' ' ' ALA . 64.3 tttm -57.28 -42.42 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.53 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.452 HD23 ' CE ' ' A' ' 468' ' ' MET . 67.8 mt -62.58 -41.88 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 490' ' ' VAL . 2.2 tm? -68.21 -49.48 60.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -64.59 -35.54 81.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -58.3 -40.14 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.406 ' O ' HG21 ' A' ' 489' ' ' THR . 97.2 m-85 -126.09 70.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 49.0 p -92.91 15.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.343 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -97.71 -69.68 0.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -176.32 48.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.87 121.97 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -57.93 -22.3 47.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.406 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 tp -79.91 149.28 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 24.4 m -57.89 150.74 19.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.2 p -62.41 -36.03 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.3 -44.51 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.728 ' O ' HG23 ' A' ' 492' ' ' VAL . 41.5 mt-30 -66.14 -35.85 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 477' ' ' PHE . 31.9 m -59.29 -40.41 86.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 486' ' ' SER . 27.1 t -60.51 -46.14 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -61.86 -38.88 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.9 t -62.15 -51.57 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.83 -36.27 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.429 ' HB1' ' OE1' ' B' ' 956' ' ' GLU . . . -63.76 -47.87 79.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.205 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.87 -35.54 76.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 456' ' ' GLU . 0.3 OUTLIER -78.07 -49.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.949 HD13 HD21 ' B' ' 953' ' ' LEU . 41.0 mt -60.64 -40.34 91.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.729 ' O ' HD22 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -48.15 -53.33 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.57 -179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -79.13 -15.39 58.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.564 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.912 HD21 HD21 ' A' ' 515' ' ' LEU . 5.8 tt -45.73 -45.35 14.35 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.554 ' HA ' HD21 ' B' ' 960' ' ' LEU . 4.5 t30 63.79 54.79 1.67 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.984 0.421 . . . . 0.0 110.626 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.879 ' HG3' HD21 ' B' ' 957' ' ' LEU . 75.6 Cg_endo -77.06 -168.59 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.814 2.343 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -109.15 156.02 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.6 mtm105 -112.44 131.15 55.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' LYS . . . . . 0.657 ' CD ' HD11 ' A' ' 507' ' ' ILE . 1.6 ttmp? -136.95 133.85 36.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.47 107.87 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.657 HD11 ' CD ' ' A' ' 505' ' ' LYS . 36.7 mm -118.72 117.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 56.44 43.81 25.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 60.2 37.87 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -146.89 137.88 23.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 24.0 ptm -66.09 123.33 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 6.2 m80 -121.98 150.39 42.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.702 ' CD2' HG23 ' A' ' 470' ' ' THR . 41.4 m-85 -98.61 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.2 t -138.76 145.49 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.912 HD21 HD21 ' A' ' 500' ' ' LEU . 1.6 mt -127.51 135.7 50.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -111.56 99.62 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.892 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.8 98.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -60.43 -35.4 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 65.9 ttp -80.82 -35.36 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 471' ' ' LYS . . . -70.28 -35.4 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -29.33 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.09 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.949 HD21 HD13 ' A' ' 497' ' ' LEU . 9.3 tt -66.34 -44.38 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.66 -30.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.056 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.36 -33.66 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 956' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 494' ' ' ALA . 91.1 mt-10 -78.27 -54.43 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' A' ' 502' ' ' PRO . 13.0 tp -64.66 -32.98 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -60.32 -38.26 83.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.01 -41.57 82.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 498' ' ' LYS . 0.4 OUTLIER -59.48 -34.95 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.738 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 17.5 ttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.868 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 493' ' ' LEU . 29.1 t -99.96 133.45 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.09 155.89 26.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.4 -37.45 80.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -58.26 -51.35 70.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.197 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.406 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -58.33 -36.54 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.598 HG11 HD21 ' A' ' 497' ' ' LEU . 38.2 t -79.08 -39.03 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.845 ' O ' HG23 ' A' ' 464' ' ' THR . 26.1 ttm105 -62.51 -45.27 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.339 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -56.64 -38.18 71.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.225 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 20.5 m-85 -62.44 -44.87 95.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.065 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.603 HD12 HD12 ' A' ' 515' ' ' LEU . 82.2 mt -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 460' ' ' ARG . 62.7 p -60.41 -32.73 71.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -80.97 -49.05 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 140.83 15.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 128.81 14.87 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.51 2.14 . . . . 0.0 112.225 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.6 163.7 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.814 HG23 ' CD2' ' A' ' 512' ' ' HIS . 19.0 p -92.25 173.29 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.815 ' CB ' HD23 ' B' ' 953' ' ' LEU . 4.9 p -57.64 -44.3 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.729 ' HD2' ' HB2' ' B' ' 950' ' ' ALA . 0.0 OUTLIER -58.74 -39.38 80.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.984 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.1 -37.67 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.631 HD12 HD21 ' B' ' 953' ' ' LEU . 71.4 mt -62.15 -41.06 97.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' B' ' 949' ' ' MET . 59.6 mt -67.72 -36.87 81.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.11 -35.98 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -61.38 -33.1 73.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -151.75 66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -89.21 -68.77 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 70.8 p -117.4 32.38 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.734 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -173.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -50.16 -25.35 3.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.525 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 43.6 p -46.95 -31.5 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 63.23 29.3 74.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.646 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 75.6 mt -93.97 130.05 40.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -61.72 163.79 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.2 p -58.02 -38.06 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -76.02 -38.76 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 492' ' ' VAL . 94.6 mt-30 -71.39 -39.87 70.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.46 HG22 HD12 ' A' ' 493' ' ' LEU . 37.5 m -60.71 -47.9 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' B' ' 949' ' ' MET . 15.4 m -62.75 -43.47 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 491' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 490' ' ' VAL . 86.5 m-20 -52.19 -35.88 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.275 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 488' ' ' GLN . 25.1 t -81.0 -59.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.528 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 497' ' ' LEU . 39.2 mt -60.3 -44.54 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.394 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' B' ' 953' ' ' LEU . . . -60.25 -41.51 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -74.74 -45.02 46.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.4 tt -63.67 -43.53 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 493' ' ' LEU . 1.2 mt -72.68 -26.96 61.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.82 ' O ' HD13 ' B' ' 960' ' ' LEU . 10.3 tmtt? -48.39 -54.99 11.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 111.443 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 499' ' ' ARG . . . . . 0.565 ' HA ' HD13 ' B' ' 960' ' ' LEU . 95.6 mtt180 -77.42 -15.82 59.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.592 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.645 HD22 HD23 ' A' ' 497' ' ' LEU . 25.7 tp -47.78 -36.15 11.19 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.879 ' HA ' HD21 ' B' ' 960' ' ' LEU . 0.3 OUTLIER 57.45 52.37 5.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.442 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 81.6 Cg_endo -77.55 138.22 17.12 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.583 2.188 . . . . 0.0 112.305 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.62 138.71 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.428 ' NH1' ' HE1' ' B' ' 961' ' ' MET . 28.2 ptt180 -104.3 123.82 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -132.41 146.46 51.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 17.7 ptp -92.79 109.74 21.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -119.56 127.61 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.0 42.98 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 59.68 30.69 20.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 469' ' ' THR . 45.0 tttp -144.93 138.44 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.564 ' O ' HG22 ' A' ' 469' ' ' THR . 24.7 ptt? -73.09 128.98 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.814 ' CD2' HG23 ' A' ' 469' ' ' THR . 63.5 m80 -130.98 166.27 21.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.723 ' HE2' HG23 ' A' ' 470' ' ' THR . 47.8 m-85 -106.25 132.64 52.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.6 t -136.95 143.31 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.727 HD13 ' HG3' ' A' ' 460' ' ' ARG . 1.8 mt -128.18 143.02 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -125.42 105.44 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.964 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 946' ' ' ALA . . . . . 0.438 ' HB1' ' NZ ' ' A' ' 471' ' ' LYS . . . -59.88 -48.26 82.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.263 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.38 -35.05 79.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.73 -37.33 86.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.685 ' HB3' HD13 ' A' ' 474' ' ' LEU . 96.4 mtp -60.44 -36.86 79.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.729 ' HB2' ' HD2' ' A' ' 471' ' ' LYS . . . -67.11 -37.94 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.8 -44.81 90.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.87 80.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.815 HD23 ' CB ' ' A' ' 470' ' ' THR . 3.8 tp -68.04 -42.92 79.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.768 ' CA ' HG21 ' A' ' 470' ' ' THR . 15.2 pt-20 -74.97 -44.92 45.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.257 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.66 -30.87 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.45 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -69.96 -51.51 32.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.828 ' CD2' HD22 ' B' ' 960' ' ' LEU . 1.3 mt -69.97 -27.86 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.06 -31.79 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.035 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -67.87 -40.97 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.879 HD21 ' HA ' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -79.57 -34.07 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 961' ' ' MET . . . . . 0.428 ' HE1' ' NH1' ' A' ' 504' ' ' ARG . 97.5 mmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.675 HG11 HD21 ' A' ' 493' ' ' LEU . 21.2 t -96.67 128.09 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 459' ' ' VAL . 42.2 m -127.75 144.25 51.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.48 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -59.52 -40.17 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.476 ' H ' HG22 ' A' ' 455' ' ' THR . 47.6 t0 -61.71 -40.06 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.32 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.58 ' O ' HD12 ' A' ' 463' ' ' LEU . 37.0 t -64.44 -46.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.764 ' HG3' HD22 ' A' ' 515' ' ' LEU . 44.2 ttp180 -59.16 -32.96 70.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -56.2 -36.42 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.25 -44.03 72.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.064 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 459' ' ' VAL . 4.4 mp -68.3 -35.13 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.7 p -63.05 -28.69 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -78.84 -64.03 1.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 155.19 51.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 138.86 66.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.545 2.163 . . . . 0.0 112.277 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.503 ' SD ' HD23 ' A' ' 473' ' ' LEU . 15.5 ttt -143.06 141.31 31.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 17.4 p -82.49 160.53 22.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 41.5 p -59.87 -45.63 91.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -59.84 -40.04 87.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.7 -37.96 77.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.503 HD23 ' SD ' ' A' ' 468' ' ' MET . 81.3 mt -65.18 -41.7 94.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.617 HD13 ' HG2' ' B' ' 949' ' ' MET . 8.9 mt -71.45 -33.57 69.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -60.64 -38.35 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -60.82 -38.49 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -126.32 42.08 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.8 p -157.67 27.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -64.66 -45.09 88.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.948 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -175.77 100.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 29.2 p -155.08 -44.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 105.44 -22.76 31.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 484' ' ' LEU . 1.7 mm? -93.35 143.27 26.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.2 m -59.9 165.25 3.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.785 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.4 p -57.37 -33.61 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.98 -40.05 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.78 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -66.27 -40.66 90.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 26.2 m -60.33 -38.83 84.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 486' ' ' SER . 40.4 t -65.05 -30.06 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.53 -45.07 85.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.025 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 36.8 t -71.67 -51.19 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.675 HD21 HG11 ' A' ' 454' ' ' VAL . 4.0 mm? -62.31 -30.54 71.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.686 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -66.37 -44.65 82.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.299 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.52 -42.04 59.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.352 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 456' ' ' GLU . 6.1 tt -63.3 -44.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.882 HD13 HD11 ' B' ' 953' ' ' LEU . 6.2 mt -72.13 -31.99 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.743 ' O ' HD22 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -47.93 -51.88 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -79.3 -15.46 57.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.666 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.793 HD22 HD23 ' A' ' 497' ' ' LEU . 27.4 tp -45.8 -45.41 14.75 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.735 ' HA ' HD21 ' B' ' 960' ' ' LEU . 26.8 m-20 61.32 50.63 1.98 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.771 0.319 . . . . 0.0 110.991 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.712 ' HD2' HD22 ' B' ' 957' ' ' LEU . 72.0 Cg_endo -73.87 -167.71 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.58 2.186 . . . . 0.0 112.211 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -112.03 132.0 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.701 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -100.88 124.82 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -135.97 145.48 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 52.0 ttm -97.31 107.8 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.553 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 45.2 mt -121.41 125.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.25 40.64 27.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 60.31 35.78 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -140.95 153.07 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 6.0 tpt -85.24 120.23 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.553 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 80.3 m-70 -123.1 140.77 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 20.4 m-85 -103.69 132.6 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 47.3 m -133.34 154.69 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.764 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -137.68 138.38 39.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -98.92 127.06 44.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.94 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.827 0.346 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -64.6 -34.04 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.08 -29.49 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.617 ' HG2' HD13 ' A' ' 474' ' ' LEU . 20.6 ttt -55.57 -44.21 76.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 474' ' ' LEU . . . -86.1 -42.04 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -56.72 -39.53 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.038 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.43 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.882 HD11 HD13 ' A' ' 497' ' ' LEU . 0.3 OUTLIER -65.57 -42.75 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.43 -41.56 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.09 69.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 956' ' ' GLU . . . . . 0.686 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 79.1 mm-40 -66.03 -44.83 83.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.861 HD21 ' O ' ' A' ' 497' ' ' LEU . 15.4 mt -84.09 -18.0 38.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -57.73 -43.99 85.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.724 0.297 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.88 -49.47 61.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.743 HD22 ' O ' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -65.03 -34.14 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.668 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.793 0.33 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.5 m -69.4 128.25 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.232 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 458' ' ' ALA . 14.9 t -142.42 153.46 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.545 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -60.01 -38.78 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.12 -35.82 76.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.734 ' H ' HG23 ' A' ' 455' ' ' THR . . . -59.93 -33.76 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.7 HG11 HD21 ' A' ' 497' ' ' LEU . 26.2 t -78.11 -40.98 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 464' ' ' THR . 26.1 ttm105 -60.55 -43.82 96.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.78 -43.33 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.088 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 21.3 m-85 -69.81 -41.82 74.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.684 ' CD1' HG12 ' A' ' 459' ' ' VAL . 17.0 mt -68.58 -40.14 80.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.031 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 460' ' ' ARG . 39.7 p -62.52 -29.74 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -69.76 -64.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.97 147.0 30.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.849 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.19 132.4 50.2 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.658 ' HG2' HD23 ' A' ' 463' ' ' LEU . 6.7 ptm -140.41 149.64 42.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 32.3 p -88.05 169.34 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.588 HG23 ' CE2' ' A' ' 513' ' ' PHE . 20.1 p -59.52 -42.18 91.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.509 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 28.5 mtpt -58.83 -38.44 78.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.57 -37.32 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.411 HD23 ' CE ' ' A' ' 468' ' ' MET . 70.3 mt -61.48 -45.1 95.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.777 HD13 ' HB3' ' B' ' 949' ' ' MET . 34.9 mt -69.94 -30.58 68.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.88 -35.58 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -60.75 -37.94 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -139.73 55.86 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.735 ' HG3' HG22 ' A' ' 479' ' ' THR . 13.2 pt20 -64.17 -39.69 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.735 HG22 ' HG3' ' A' ' 478' ' ' GLN . 1.9 t -175.67 47.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -177.23 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -69.68 66.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 40.2 p -109.38 -23.3 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 101.45 -22.37 39.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.1 mm? -98.54 139.2 34.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.728 0.299 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.1 t -71.77 162.98 28.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.867 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.0 p -57.88 -35.84 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.38 -43.99 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.794 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.42 -40.38 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.441 ' O ' HD23 ' A' ' 493' ' ' LEU . 45.1 m -60.3 -42.55 95.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 486' ' ' SER . 40.4 t -63.11 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.33 -42.74 87.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 29.2 t -76.36 -48.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -64.03 -31.88 73.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -68.7 -42.47 77.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -73.79 -41.72 62.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' A' ' 456' ' ' GLU . 6.7 tt -65.86 -44.82 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.049 0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.869 ' O ' HD13 ' B' ' 957' ' ' LEU . 55.7 mt -69.95 -29.52 66.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.742 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.9 OUTLIER -55.15 -54.2 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 111.037 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 499' ' ' ARG . . . . . 0.466 ' HA ' HD13 ' B' ' 960' ' ' LEU . 94.2 mtt180 -77.28 -15.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.491 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.616 HD22 HD23 ' A' ' 497' ' ' LEU . 27.6 tp -46.06 -28.89 1.3 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.789 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.947 ' HA ' HD21 ' B' ' 960' ' ' LEU . 0.5 OUTLIER 43.54 51.65 7.67 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.565 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.951 ' HD2' HD11 ' B' ' 957' ' ' LEU . 87.4 Cg_endo -77.57 146.63 24.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 53.8 mp0 -65.86 136.14 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -90.34 131.44 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -132.91 132.24 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.7 mtp -88.8 105.94 18.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -121.26 127.47 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.55 40.12 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 58.68 38.66 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -147.03 153.43 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.1 mtt -77.86 124.25 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 60.6 m80 -127.53 150.02 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.588 ' CE2' HG23 ' A' ' 470' ' ' THR . 83.7 m-85 -107.21 134.66 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 30.4 t -147.96 141.04 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.63 138.29 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -117.61 94.87 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.906 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.345 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.66 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.22 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -58.12 -43.07 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.014 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -68.08 -36.78 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.777 ' HB3' HD13 ' A' ' 474' ' ' LEU . 95.1 mtp -61.3 -42.56 98.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.509 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -86.1 -46.69 10.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.256 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 951' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 86.0 tttt -58.03 -46.71 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.083 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.18 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 497' ' ' LEU . 9.4 tt -69.01 -46.8 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.76 -33.35 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 955' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -58.47 -27.53 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.44 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.4 -49.9 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.316 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.951 HD11 ' HD2' ' A' ' 502' ' ' PRO . 26.7 tp -71.75 -37.67 70.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.649 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 958' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' B' ' 959' ' ' ASP . 41.3 p-10 -57.78 -21.78 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.342 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 959' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' B' ' 958' ' ' ASN . 49.6 t0 -78.12 -55.29 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.947 HD21 ' HA ' ' A' ' 501' ' ' ASN . 0.0 OUTLIER -63.39 -33.83 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.723 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 961' ' ' MET . . . . . 0.642 ' N ' HD23 ' B' ' 960' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.762 0.315 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 493' ' ' LEU . 22.0 t -105.82 129.13 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 457' ' ' ASP . 49.4 m -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.446 ' HB2' HD13 ' A' ' 496' ' ' ILE . 86.6 tt0 -60.36 -34.81 74.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.578 ' H ' HG22 ' A' ' 455' ' ' THR . 92.8 m-20 -58.31 -41.77 85.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -67.73 -37.87 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 455' ' ' THR . 22.0 t -66.63 -47.15 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.674 ' NE ' HD22 ' A' ' 515' ' ' LEU . 15.5 tpt180 -60.49 -42.26 95.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.23 -38.92 84.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.416 ' CE2' ' HE2' ' A' ' 476' ' ' LYS . 21.8 m-85 -67.77 -45.66 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.37 -35.64 81.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -32.93 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -77.02 -49.31 15.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 146.43 28.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.2 128.9 12.54 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.595 2.197 . . . . 0.0 112.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.1 mtm -131.67 154.52 48.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 511' ' ' MET . 13.7 p -81.23 162.99 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 9.5 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.907 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 56.2 mtpt -59.22 -41.66 89.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.8 -41.86 97.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.413 HD13 HD21 ' A' ' 497' ' ' LEU . 78.6 mt -60.38 -38.8 85.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.666 ' CD2' HD13 ' B' ' 953' ' ' LEU . 0.1 OUTLIER -73.9 -49.19 25.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -66.27 -31.86 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.416 ' HE2' ' CE2' ' A' ' 462' ' ' TYR . 51.4 tttt -57.07 -26.97 61.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.443 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.744 ' O ' HG23 ' A' ' 482' ' ' THR . 97.0 m-85 -119.0 -48.09 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.507 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.698 ' HA ' HG21 ' A' ' 489' ' ' THR . 25.7 tt0 -53.76 -46.65 71.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.469 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 17.2 p -97.8 25.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.21 -76.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -153.95 28.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 477' ' ' PHE . 71.9 p -75.46 124.09 26.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -76.84 -21.14 75.03 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.682 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -79.94 157.93 26.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -58.1 160.7 4.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.8 p -59.41 -37.15 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -67.88 -44.71 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 492' ' ' VAL . 92.2 mt-30 -65.13 -38.42 90.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.698 HG21 ' HA ' ' A' ' 478' ' ' GLN . 27.5 m -59.37 -41.38 89.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 486' ' ' SER . 40.2 t -64.45 -42.74 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -58.34 -42.98 88.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 488' ' ' GLN . 29.5 t -63.17 -47.35 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 497' ' ' LEU . 26.4 mt -70.08 -39.72 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.662 ' HB1' ' OE1' ' B' ' 956' ' ' GLU . . . -60.82 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.287 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -36.76 77.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.03 -49.54 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.824 ' O ' HD11 ' B' ' 957' ' ' LEU . 1.0 OUTLIER -66.52 -30.21 70.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.313 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.816 ' O ' HD11 ' B' ' 960' ' ' LEU . 8.7 ttmt -47.7 -46.94 30.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -79.4 -15.84 57.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.492 HD11 ' HD3' ' A' ' 460' ' ' ARG . 42.5 tp -51.22 -46.13 62.16 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.556 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.4 OUTLIER 57.06 49.04 3.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.969 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.79 ' HD2' HD12 ' B' ' 957' ' ' LEU . 74.1 Cg_endo -74.7 140.96 27.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.506 2.137 . . . . 0.0 112.338 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.9 143.46 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.782 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -95.5 126.4 40.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -132.23 144.1 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 59.3 ttp -103.53 104.27 14.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.49 131.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.8 38.57 21.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 57.19 35.62 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.89 148.9 41.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.764 ' O ' HG22 ' A' ' 469' ' ' THR . 94.3 mmm -78.89 114.81 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.54 148.19 44.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -107.32 128.27 54.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.3 t -149.45 147.94 28.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.674 HD22 ' NE ' ' A' ' 460' ' ' ARG . 0.0 OUTLIER -120.95 155.05 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.79 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -106.16 94.78 5.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.961 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.311 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.97 89.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.76 -34.98 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 948' ' ' GLU . . . . . 0.4 ' HA ' ' CG ' ' B' ' 951' ' ' LYS . 98.2 mt-10 -60.36 -35.24 75.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 97.1 mtp -67.14 -37.89 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.907 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -86.11 -53.04 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.688 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 951' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 0.1 OUTLIER -56.63 -33.14 66.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.474 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.83 -58.05 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.428 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.666 HD13 ' CD2' ' A' ' 474' ' ' LEU . 1.2 tt -70.94 -45.19 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.51 -33.51 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 955' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -60.94 -41.01 95.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 956' ' ' GLU . . . . . 0.662 ' OE1' ' HB1' ' A' ' 494' ' ' ALA . 90.4 mt-10 -69.91 -42.79 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.074 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.824 HD11 ' O ' ' A' ' 497' ' ' LEU . 4.5 mm? -70.0 -31.1 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -59.52 -23.17 62.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -67.72 -36.84 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.11 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.816 HD11 ' O ' ' A' ' 498' ' ' LYS . 1.4 mt -58.78 -35.46 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.407 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.551 HG22 ' CE1' ' A' ' 477' ' ' PHE . 27.4 t -108.44 135.47 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.1 t -133.04 154.56 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.07 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.71 -42.11 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.731 ' H ' HG23 ' A' ' 455' ' ' THR . . . -65.28 -41.05 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.19 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.41 -44.68 77.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.841 ' O ' HG23 ' A' ' 464' ' ' THR . 73.5 mtp85 -60.4 -39.85 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -57.83 -37.6 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.7 -39.52 91.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.46 HD21 HD11 ' A' ' 473' ' ' LEU . 88.3 mt -77.11 -43.28 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.841 HG23 ' O ' ' A' ' 460' ' ' ARG . 43.6 p -60.34 -34.17 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -79.88 -51.09 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -146.07 137.64 13.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.46 124.48 9.41 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.466 2.111 . . . . 0.0 112.287 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.457 ' SD ' HD23 ' A' ' 473' ' ' LEU . 11.4 ptp -135.4 156.64 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 511' ' ' MET . 29.2 p -81.06 170.26 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.989 HG23 ' CE2' ' A' ' 513' ' ' PHE . 4.7 p -58.48 -38.07 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -57.66 -45.05 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.49 -38.12 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.46 HD11 HD21 ' A' ' 463' ' ' LEU . 70.2 mt -66.18 -43.32 87.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 1.094 HD22 HD23 ' A' ' 493' ' ' LEU . 0.3 OUTLIER -70.94 -49.01 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -60.32 -39.78 88.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -38.84 85.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.791 ' O ' HG21 ' A' ' 489' ' ' THR . 0.2 OUTLIER -105.58 24.72 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.51 ' HG3' ' HE2' ' B' ' 949' ' ' MET . 9.8 tm0? -128.18 -61.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 66.7 p -60.22 -31.44 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -73.27 144.61 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -60.15 101.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.2 p -111.63 -24.0 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 107.31 -26.36 18.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 50.9 mt -100.46 149.69 23.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.7 m -58.8 158.06 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 490' ' ' VAL . 9.6 t -58.2 -38.9 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -72.13 -38.28 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.09 -40.59 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.791 HG21 ' O ' ' A' ' 477' ' ' PHE . 90.9 m -61.98 -44.04 97.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.67 HG22 HD11 ' A' ' 474' ' ' LEU . 34.9 t -62.68 -41.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -60.9 -50.22 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.55 -48.13 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.237 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 1.094 HD23 HD22 ' A' ' 474' ' ' LEU . 23.7 tp -59.68 -35.26 74.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.58 91.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.941 0.4 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.7 -41.35 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 2.3 tt -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.777 HD12 ' HG ' ' A' ' 493' ' ' LEU . 3.0 mt -74.57 -43.6 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.742 ' O ' HD21 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -47.4 -43.85 23.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.352 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.07 -15.96 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.205 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.972 HD21 HD11 ' A' ' 515' ' ' LEU . 2.3 tt -58.06 -44.43 87.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.916 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER 56.49 56.35 8.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.285 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.846 ' CG ' HD21 ' B' ' 957' ' ' LEU . 73.3 Cg_endo -76.37 151.87 33.95 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.192 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.07 135.89 57.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.776 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.59 119.22 38.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -132.84 144.84 50.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.6 mtp -90.57 112.3 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.457 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 44.4 mt -119.37 120.96 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.7 43.0 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 59.75 37.11 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.97 152.37 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.623 ' O ' HG22 ' A' ' 469' ' ' THR . 50.3 ttm -87.74 117.91 26.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.457 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 89.8 m-70 -127.3 146.8 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.989 ' CE2' HG23 ' A' ' 470' ' ' THR . 91.8 m-85 -106.01 132.34 52.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.0 p -127.98 152.97 47.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.972 HD11 HD21 ' A' ' 500' ' ' LEU . 15.1 mt -133.87 144.71 49.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -132.01 94.92 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.899 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.2 96.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.14 -46.08 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -74.97 -27.15 60.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.51 ' HE2' ' HG3' ' A' ' 478' ' ' GLN . 40.7 ttm -56.99 -39.18 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.035 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.95 -44.97 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -58.5 -34.2 70.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.17 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.948 HD13 HD23 ' A' ' 474' ' ' LEU . 9.9 tp -71.21 -46.63 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.552 ' CA ' HG21 ' A' ' 470' ' ' THR . 0.9 OUTLIER -69.98 -32.02 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.27 90.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.34 -43.01 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.846 HD21 ' CG ' ' A' ' 502' ' ' PRO . 12.2 tp -69.0 -28.72 66.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -17.79 50.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.389 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.719 0.295 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 501' ' ' ASN . 1.7 mt -59.61 -39.53 84.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.965 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.51 129.63 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.5 m -128.86 143.65 50.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.499 ' HB2' HD11 ' A' ' 496' ' ' ILE . 83.9 tt0 -59.24 -37.67 78.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.555 ' H ' HG22 ' A' ' 455' ' ' THR . 90.1 m-20 -62.4 -41.95 99.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.7 78.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.639 ' O ' HD12 ' A' ' 463' ' ' LEU . 38.8 t -65.33 -37.73 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 464' ' ' THR . 49.6 ttt180 -58.33 -35.67 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -58.31 -37.67 75.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -67.7 -41.65 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.024 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 459' ' ' VAL . 5.2 mp -71.64 -43.0 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 460' ' ' ARG . 71.1 p -62.17 -26.08 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.071 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -74.13 -63.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -146.02 154.36 50.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 0.401 ' CB ' ' CD1' ' A' ' 507' ' ' ILE . 41.6 Cg_exo -56.87 133.6 59.05 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.583 2.189 . . . . 0.0 112.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -145.33 144.55 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 511' ' ' MET . 21.3 p -85.07 168.06 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.463 HG23 ' CE2' ' A' ' 513' ' ' PHE . 18.6 p -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.403 ' HG2' ' CB ' ' B' ' 950' ' ' ALA . 98.6 mttt -59.8 -36.73 77.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.67 -34.05 75.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 56.8 mt -78.02 -34.97 50.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.33 -40.38 36.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -29.83 63.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.159 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -62.63 -36.66 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.026 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.677 ' CD2' HG21 ' A' ' 482' ' ' THR . 4.3 m-85 -127.18 30.44 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -69.34 -47.33 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 63.8 p -139.14 27.72 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -97.44 147.88 23.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -64.84 109.78 2.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.677 HG21 ' CD2' ' A' ' 477' ' ' PHE . 2.2 p -150.63 23.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 81.23 -58.0 4.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 40.0 mt -81.31 142.78 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 3.1 p -81.2 179.32 7.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 490' ' ' VAL . 14.8 m -58.32 -40.71 82.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -46.21 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.549 ' O ' HG23 ' A' ' 492' ' ' VAL . 99.6 mm-40 -66.26 -35.17 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.595 ' O ' HD13 ' A' ' 493' ' ' LEU . 48.6 m -59.25 -46.02 89.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 486' ' ' SER . 33.9 t -64.42 -41.32 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -59.44 -44.82 92.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 488' ' ' GLN . 36.5 t -70.88 -49.79 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.205 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.623 ' HB3' HD11 ' B' ' 953' ' ' LEU . 8.6 mp -64.25 -35.5 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.77 88.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -75.17 -43.6 51.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 456' ' ' GLU . 5.2 tt -64.8 -44.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.892 ' O ' HD11 ' B' ' 957' ' ' LEU . 73.2 mt -71.63 -26.92 62.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.051 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' B' ' 957' ' ' LEU . 0.0 OUTLIER -47.43 -53.62 13.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.904 0.383 . . . . 0.0 111.366 -179.652 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -79.57 -15.23 58.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.687 HD22 HD23 ' A' ' 497' ' ' LEU . 44.6 tp -45.51 -55.15 6.53 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.486 ' HA ' HD23 ' B' ' 960' ' ' LEU . 54.4 t30 60.88 49.71 1.89 Allowed Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 110.871 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.66 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.5 Cg_endo -75.43 166.26 29.03 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.626 2.217 . . . . 0.0 112.37 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -90.98 141.52 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -108.07 130.94 55.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -131.7 144.49 51.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.0 mtp -85.36 105.14 15.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.582 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 47.2 mt -118.1 123.54 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.78 41.83 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 59.19 33.52 22.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -142.86 153.16 42.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.563 ' O ' HG22 ' A' ' 469' ' ' THR . 59.9 ttp -84.77 126.15 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 80.2 m-70 -128.67 151.78 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.463 ' CE2' HG23 ' A' ' 470' ' ' THR . 24.1 m-85 -105.78 127.39 53.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 7.8 t -154.62 142.56 20.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -130.96 156.46 45.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.626 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -102.91 121.09 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.937 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.878 0.37 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.96 -43.37 95.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.64 -39.86 88.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.437 ' HE1' ' HB3' ' A' ' 486' ' ' SER . 98.2 mtp -62.0 -40.02 94.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.403 ' CB ' ' HG2' ' A' ' 471' ' ' LYS . . . -84.5 -28.36 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -56.65 -39.77 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -81.53 -42.26 20.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.764 HD21 HD13 ' A' ' 497' ' ' LEU . 9.5 tt -63.11 -41.96 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.449 ' HA ' HG21 ' A' ' 470' ' ' THR . 0.9 OUTLIER -68.88 -36.01 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.02 -30.96 72.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.55 -37.15 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.892 HD11 ' O ' ' A' ' 497' ' ' LEU . 5.2 mp -101.98 -9.96 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.495 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -57.82 -34.43 69.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.821 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -104.39 -21.63 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.155 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 501' ' ' ASN . 7.0 tp -54.13 -34.02 59.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.1 ttp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.895 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 453' ' ' GLN . . . . . 0.574 ' OE1' HG23 ' A' ' 455' ' ' THR . 1.3 tm0? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.41 ' H ' HG22 ' A' ' 454' ' ' VAL . 4.1 m -68.62 124.18 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.818 ' O ' HG23 ' A' ' 459' ' ' VAL . 23.4 p -131.38 152.76 50.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.648 ' N ' HD11 ' A' ' 496' ' ' ILE . 34.8 tt0 -65.95 -40.01 90.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -59.78 -42.39 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.02 78.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 455' ' ' THR . 39.6 t -61.4 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -61.52 -32.51 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.07 -39.57 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.433 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 95.3 m-85 -70.64 -44.27 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.719 HD22 HD12 ' A' ' 515' ' ' LEU . 4.9 mp -68.96 -34.79 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -60.68 -27.49 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -72.82 -59.63 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -146.07 158.32 48.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.8 136.81 73.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.504 2.136 . . . . 0.0 112.208 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.427 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 87.8 mtp -136.19 150.27 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.572 ' O ' HD12 ' A' ' 473' ' ' LEU . 28.4 p -98.17 162.85 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.906 HG23 ' CE1' ' A' ' 513' ' ' PHE . 39.4 p -55.25 -45.3 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -62.21 -38.14 88.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 472' ' ' ASP . . . . . 0.427 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 52.5 t0 -60.97 -39.85 91.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 469' ' ' THR . 4.5 mp -64.95 -40.82 95.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 474' ' ' LEU . 0.4 OUTLIER -66.62 -42.29 87.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -62.19 -30.3 70.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 477' ' ' PHE . 49.0 tptt -56.81 -31.03 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 476' ' ' LYS . 98.3 m-85 -148.0 42.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -73.63 -69.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 59.3 p -114.25 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.236 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -90.65 147.98 22.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -69.4 101.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 72.4 p -130.17 6.71 4.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.319 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 94.67 -27.26 14.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 55.3 mt -108.08 145.47 34.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.347 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 m -64.02 160.3 18.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 4.6 t -58.62 -38.59 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.84 -33.8 75.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.5 ' O ' HD13 ' A' ' 493' ' ' LEU . 47.7 m -58.94 -40.86 85.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.53 HG22 HD21 ' A' ' 474' ' ' LEU . 28.6 t -61.45 -41.02 88.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -60.77 -46.25 91.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.6 t -69.17 -50.09 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 489' ' ' THR . 11.0 mp -62.7 -31.1 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.737 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -65.86 -41.19 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -77.46 -43.49 32.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.648 HD11 ' N ' ' A' ' 456' ' ' GLU . 5.8 tt -61.55 -44.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.071 0.462 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.856 HD13 HD21 ' B' ' 953' ' ' LEU . 3.1 mt -61.2 -40.77 95.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.63 ' O ' HD12 ' B' ' 960' ' ' LEU . 1.3 mtpt -47.66 -46.88 29.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 0.0 111.414 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -79.92 -15.76 56.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.677 0.275 . . . . 0.0 111.368 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 515' ' ' LEU . 30.5 tp -47.93 -36.48 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.869 ' HA ' HD11 ' B' ' 960' ' ' LEU . 3.5 m120 48.87 47.63 5.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.361 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.806 ' HG3' HD23 ' A' ' 500' ' ' LEU . 92.0 Cg_endo -79.15 176.97 9.18 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.342 2.028 . . . . 0.0 112.461 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -108.28 142.3 38.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -96.7 126.19 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.988 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -133.39 136.98 45.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.4 ttm -95.82 111.03 23.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 41.4 mt -119.27 119.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 5.6 m120 57.69 43.32 22.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 61.4 36.86 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -138.88 151.69 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.558 ' O ' HG22 ' A' ' 469' ' ' THR . 63.6 mtt -85.35 125.42 32.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -132.28 146.25 51.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.906 ' CE1' HG23 ' A' ' 470' ' ' THR . 81.4 m-85 -111.17 138.96 46.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.8 p -121.46 156.38 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 500' ' ' LEU . 0.3 OUTLIER -146.89 141.61 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -131.99 119.34 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.923 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.23 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.46 -40.03 89.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.21 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.9 -39.33 88.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.66 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -58.45 -42.95 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.48 88.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.856 HD21 HD13 ' A' ' 497' ' ' LEU . 10.4 tt -63.32 -37.76 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.632 ' HG2' HG21 ' A' ' 470' ' ' THR . 97.7 mt-10 -62.75 -44.49 96.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.383 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 956' ' ' GLU . . . . . 0.737 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 75.2 mm-40 -63.91 -39.58 94.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 1.062 HD11 HD13 ' B' ' 960' ' ' LEU . 9.4 tp -101.03 -9.63 21.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.83 -41.56 67.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -68.41 -33.87 75.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 1.062 HD13 HD11 ' B' ' 957' ' ' LEU . 9.0 tt -59.41 -33.54 71.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 961' ' ' MET . . . . . 0.529 ' OXT' HD23 ' B' ' 960' ' ' LEU . 3.9 tpp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.868 0.366 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.97 133.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 41.3 p -126.21 154.97 42.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.869 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.1 tt0 -65.77 -34.99 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -58.15 -35.48 71.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.67 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.461 HG13 HD22 ' A' ' 473' ' ' LEU . 29.1 t -61.14 -41.67 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.694 ' HG3' HD13 ' A' ' 515' ' ' LEU . 56.0 ttm-85 -58.9 -39.65 82.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.82 -35.72 79.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -66.73 -44.74 80.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.063 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 515' ' ' LEU . 89.6 mt -66.2 -37.01 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -30.89 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -82.62 -56.55 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -146.05 146.78 29.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -55.93 143.28 82.86 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.564 2.176 . . . . 0.0 112.25 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 92.0 mmm -137.27 166.05 24.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 18.9 p -114.8 166.55 11.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.592 ' HB ' HD22 ' B' ' 953' ' ' LEU . 20.2 p -59.27 -46.4 88.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -60.71 -36.84 79.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.36 -35.23 78.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 497' ' ' LEU . 73.5 mt -58.44 -45.14 89.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.792 HD22 ' HE1' ' B' ' 949' ' ' MET . 88.2 mt -67.61 -34.91 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -60.28 -37.93 81.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.5 -36.39 75.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.71 66.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 479' ' ' THR . 48.8 tt0 -66.61 -50.42 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.7 OUTLIER -171.07 62.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.08 -74.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -154.39 28.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -65.65 -29.52 70.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.86 -27.81 18.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.56 142.18 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.822 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 46.0 m -62.29 166.22 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 490' ' ' VAL . 30.3 m -56.63 -39.49 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.0 -42.66 94.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.95 -37.69 84.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 33.7 m -59.84 -36.9 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 486' ' ' SER . 40.9 t -60.86 -36.52 72.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -58.75 -46.3 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.08 -46.13 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.779 HD12 HD11 ' B' ' 953' ' ' LEU . 0.2 OUTLIER -64.72 -30.15 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.99 -37.57 69.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -77.45 -42.41 36.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.869 HD11 ' N ' ' A' ' 456' ' ' GLU . 5.9 tt -59.89 -44.57 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.839 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' B' ' 953' ' ' LEU . 9.7 mt -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.958 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' B' ' 960' ' ' LEU . 16.3 tptt -47.71 -45.19 28.35 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 120.892 0.377 . . . . 0.0 111.242 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -80.13 -15.99 55.9 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.389 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.592 ' CD2' HD23 ' A' ' 497' ' ' LEU . 13.6 tp -56.08 -55.0 38.24 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.9 ' HA ' HD21 ' B' ' 960' ' ' LEU . 2.3 t-20 61.41 53.29 2.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.62 ' CD ' HD21 ' B' ' 957' ' ' LEU . 15.2 Cg_exo -68.12 176.01 5.96 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.407 2.071 . . . . 0.0 112.289 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -111.71 130.44 55.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -68.42 138.59 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 505' ' ' LYS . . . . . 0.798 ' HD2' HD11 ' A' ' 507' ' ' ILE . 24.8 ttmt -151.01 122.12 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.794 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.6 mtp -85.55 107.48 17.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.798 HD11 ' HD2' ' A' ' 505' ' ' LYS . 46.1 mt -125.53 126.84 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 58.15 41.21 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 58.34 38.79 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.576 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 6.9 ttpm? -145.73 155.18 42.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.7 ttp -82.67 128.54 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.576 ' CE1' ' HE2' ' A' ' 510' ' ' LYS . 89.9 m-70 -134.34 157.57 46.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -111.76 138.17 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.9 p -131.63 147.78 52.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.694 HD13 ' HG3' ' A' ' 460' ' ' ARG . 19.6 mt -122.16 145.4 48.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -125.22 94.81 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.403 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.3 63.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.07 -43.05 99.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.45 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.792 ' HE1' HD22 ' A' ' 474' ' ' LEU . 15.9 ttt -60.47 -41.96 95.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.97 -29.43 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -58.01 -48.03 81.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 952' ' ' ALA . . . . . 0.411 ' HB3' HG11 ' A' ' 490' ' ' VAL . . . -67.74 -40.34 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.779 HD11 HD12 ' A' ' 493' ' ' LEU . 7.9 tt -61.41 -55.72 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.483 ' CB ' HG21 ' A' ' 470' ' ' THR . 34.1 tt0 -63.49 -34.78 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.58 -47.59 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.192 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.895 HD11 HD13 ' B' ' 960' ' ' LEU . 10.5 tp -84.49 -9.68 58.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.46 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -53.85 -47.89 70.53 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.9 -32.43 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.524 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.9 HD21 ' HA ' ' A' ' 501' ' ' ASN . 1.2 tt -63.8 -34.92 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.754 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.897 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.817 0.341 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.41 HG11 HD21 ' A' ' 493' ' ' LEU . 21.9 t -107.9 133.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 459' ' ' VAL . 51.7 m -123.97 135.93 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.436 ' HG3' HG23 ' A' ' 496' ' ' ILE . 84.4 tt0 -62.11 -38.35 88.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 455' ' ' THR . 92.7 m-20 -59.95 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.37 94.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 455' ' ' THR . 39.0 t -64.23 -41.68 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 464' ' ' THR . 14.9 ttp-105 -59.13 -38.1 78.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.12 -42.65 86.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -68.02 -44.63 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.648 HD21 HD21 ' A' ' 473' ' ' LEU . 39.1 mt -68.9 -37.18 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 460' ' ' ARG . 17.9 p -67.69 -32.16 72.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -53.07 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.02 138.06 13.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.47 131.75 19.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.525 2.15 . . . . 0.0 112.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.685 ' SD ' HD23 ' A' ' 473' ' ' LEU . 8.2 ptp -132.52 156.9 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.656 HG22 ' CD2' ' A' ' 512' ' ' HIS . 21.5 p -75.17 165.5 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.606 HG21 ' HG2' ' B' ' 954' ' ' GLU . 32.1 p -58.33 -43.89 88.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.71 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 91.8 mttt -57.51 -40.65 79.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -63.13 -34.52 77.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.705 HD13 HD21 ' A' ' 497' ' ' LEU . 55.9 mt -60.09 -43.5 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.64 -47.58 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 475' ' ' LYS . . . . . 0.577 ' HA ' HG23 ' A' ' 479' ' ' THR . 37.5 tttp -55.86 -35.42 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.419 ' HG2' ' CE2' ' A' ' 477' ' ' PHE . 3.5 ttmm -64.89 -33.0 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.419 ' CE2' ' HG2' ' A' ' 476' ' ' LYS . 76.9 m-85 -146.24 71.16 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.135 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.24 -59.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 475' ' ' LYS . 60.0 p -60.18 -30.35 69.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -77.24 163.22 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -63.6 82.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 38.8 p -94.77 -28.34 15.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 102.57 -26.65 23.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -94.07 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.4 m -60.85 151.78 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 490' ' ' VAL . 59.5 p -61.95 -34.88 76.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -65.38 -44.06 88.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 492' ' ' VAL . 99.6 mm-40 -65.43 -36.78 84.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.492 ' O ' HD23 ' A' ' 493' ' ' LEU . 38.5 m -60.05 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 486' ' ' SER . 38.4 t -62.76 -44.0 99.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.23 -45.23 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 488' ' ' GLN . 37.3 t -71.18 -46.8 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 489' ' ' THR . 4.1 mm? -65.75 -35.3 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.68 -41.76 98.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.202 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.49 -38.07 86.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.2 OUTLIER -77.99 -51.13 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.991 HD13 HD21 ' B' ' 953' ' ' LEU . 8.6 mt -59.08 -57.01 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.748 ' O ' HD11 ' B' ' 960' ' ' LEU . 0.0 OUTLIER -48.06 -32.36 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.061 -179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 499' ' ' ARG . . . . . 0.498 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 38.4 tpt85 -79.76 -25.91 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.468 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 497' ' ' LEU . 4.9 mt -55.91 -43.82 77.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.955 ' HA ' HD13 ' B' ' 960' ' ' LEU . 7.2 t-20 58.18 51.73 4.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.813 0.34 . . . . 0.0 110.716 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.761 ' HD2' HD22 ' B' ' 957' ' ' LEU . 60.3 Cg_endo -71.96 153.17 58.05 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.696 2.264 . . . . 0.0 112.43 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.98 143.26 55.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.51 117.5 31.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -134.11 140.84 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.5 mtp -100.31 115.52 30.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.3 mt -121.19 125.01 73.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.76 42.13 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 58.97 39.67 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.09 148.24 36.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -76.97 119.12 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.656 ' CD2' HG22 ' A' ' 469' ' ' THR . 47.5 m80 -129.52 144.38 51.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 98.1 m-85 -107.94 132.6 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.7 m -123.72 146.87 47.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.593 HD12 HD13 ' A' ' 463' ' ' LEU . 6.1 mt -131.78 141.07 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -124.96 95.01 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.947 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.94 87.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.76 -35.94 77.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.67 -39.44 84.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 66.1 mtm -63.62 -37.38 87.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.71 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -67.71 -43.02 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -59.1 -41.04 87.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.99 63.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.991 HD21 HD13 ' A' ' 497' ' ' LEU . 7.4 tt -66.42 -40.35 89.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.606 ' HG2' HG21 ' A' ' 470' ' ' THR . 46.0 mt-10 -66.07 -39.72 90.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.75 71.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -64.5 -49.58 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.828 HD23 HD11 ' B' ' 960' ' ' LEU . 4.2 mt -69.8 -28.5 65.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.12 -16.36 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.394 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.81 -32.77 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 111.092 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.955 HD13 ' HA ' ' A' ' 501' ' ' ASN . 1.7 mt -58.88 -34.81 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.869 0.366 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 459' ' ' VAL . 48.8 m -129.15 140.85 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.489 ' HB2' HD13 ' A' ' 496' ' ' ILE . 84.4 tt0 -60.18 -38.32 82.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.514 ' H ' HG22 ' A' ' 455' ' ' THR . 49.7 t0 -60.27 -40.95 92.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.31 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.651 ' O ' HD12 ' A' ' 463' ' ' LEU . 39.7 t -61.46 -42.86 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.66 -36.0 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -58.74 -40.27 83.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -68.46 -44.47 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 459' ' ' VAL . 1.0 OUTLIER -65.94 -35.23 80.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.8 p -68.49 -30.03 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -79.34 -60.44 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -145.98 141.38 16.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 0.414 ' HG3' HD11 ' A' ' 507' ' ' ILE . 35.9 Cg_endo -65.04 139.02 59.4 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 76.3 mtp -138.35 152.94 48.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.871 HG23 ' CD2' ' A' ' 512' ' ' HIS . 7.0 p -81.21 162.82 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.722 HG21 ' HB3' ' B' ' 954' ' ' GLU . 37.2 p -57.07 -44.37 83.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.423 ' CB ' ' HB2' ' B' ' 950' ' ' ALA . 37.1 ttmt -58.21 -45.78 87.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.72 -37.05 82.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.01 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.678 HD13 HD11 ' A' ' 497' ' ' LEU . 86.8 mt -65.04 -43.66 91.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 1.04 HD21 HG22 ' A' ' 490' ' ' VAL . 28.2 tp -65.93 -50.54 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.998 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -32.03 68.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -61.23 -37.14 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.757 ' O ' HG21 ' A' ' 482' ' ' THR . 98.7 m-85 -118.44 25.24 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.227 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.521 ' HA ' HG21 ' A' ' 489' ' ' THR . 5.6 tm0? -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 69.0 p -93.97 20.19 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.253 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -95.58 -69.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.49 37.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.757 HG21 ' O ' ' A' ' 477' ' ' PHE . 82.3 p -77.74 129.33 35.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -60.94 -22.71 60.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.7 mm? -80.01 148.81 30.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 29.6 t -62.11 164.58 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.1 p -58.98 -39.69 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.07 -43.2 71.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -66.1 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.549 HG22 HD13 ' A' ' 493' ' ' LEU . 24.3 m -59.45 -41.47 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 1.04 HG22 HD21 ' A' ' 474' ' ' LEU . 25.4 t -62.88 -42.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -57.7 -39.16 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.8 t -73.41 -54.71 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.285 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 497' ' ' LEU . 2.2 mp -62.94 -45.93 90.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.442 ' HB1' ' CD ' ' B' ' 956' ' ' GLU . . . -56.85 -40.18 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.416 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -59.9 -42.04 92.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 456' ' ' GLU . 0.8 OUTLIER -78.26 -42.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.34 179.553 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.94 HD13 HD12 ' A' ' 500' ' ' LEU . 4.0 mm? -56.52 -39.94 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.271 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.86 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.0 OUTLIER -65.35 -38.82 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.041 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 499' ' ' ARG . . . . . 0.543 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 76.1 ttt-85 -80.08 -15.94 56.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.571 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.94 HD12 HD13 ' A' ' 497' ' ' LEU . 14.1 mt -53.79 -37.73 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.969 ' ND2' HD11 ' B' ' 960' ' ' LEU . 8.6 m-80 59.15 46.16 1.41 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.692 0.282 . . . . 0.0 110.738 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 73.4 Cg_endo -73.65 -178.07 3.51 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.49 2.127 . . . . 0.0 112.392 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.41 160.3 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -107.03 127.41 53.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -132.82 143.75 49.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.17 107.05 18.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.414 HD11 ' HG3' ' A' ' 467' ' ' PRO . 43.5 mt -122.27 125.25 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.7 m120 57.96 41.81 23.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 58.87 35.91 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -140.55 153.51 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.729 ' O ' HG22 ' A' ' 469' ' ' THR . 64.9 mtt -85.13 122.44 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.871 ' CD2' HG23 ' A' ' 469' ' ' THR . 66.6 m80 -127.73 162.45 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.517 ' CE2' HG23 ' A' ' 470' ' ' THR . 42.9 m-85 -112.22 142.1 45.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.2 t -144.08 143.49 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.37 123.54 28.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -107.39 130.32 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.849 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.855 0.359 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.17 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.84 -40.69 89.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.96 -33.72 73.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.678 ' HB3' HD23 ' A' ' 474' ' ' LEU . 99.1 mtp -59.4 -36.83 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 471' ' ' LYS . . . -86.07 -41.04 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.314 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 951' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 57.5 mtmt -57.25 -36.77 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.165 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.43 75.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 0.667 HD21 ' HG ' ' A' ' 497' ' ' LEU . 8.3 tt -66.2 -44.48 83.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.164 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.722 ' HB3' HG21 ' A' ' 470' ' ' THR . 13.7 pt-20 -74.77 -29.34 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 955' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -59.73 -34.7 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.324 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 956' ' ' GLU . . . . . 0.442 ' CD ' ' HB1' ' A' ' 494' ' ' ALA . 78.6 mt-10 -73.53 -49.29 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.19 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.785 ' CD2' HD22 ' B' ' 960' ' ' LEU . 5.8 mt -60.43 -26.28 66.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.49 -40.38 78.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -67.87 -48.15 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.969 HD11 ' ND2' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -68.44 -33.49 74.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.53 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.8 ttp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.919 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.754 0.311 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.92 138.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 457' ' ' ASP . 48.3 m -122.46 144.42 49.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -36.93 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.557 ' H ' HG22 ' A' ' 455' ' ' THR . 21.5 t70 -59.29 -37.3 77.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.723 HG11 HD21 ' A' ' 497' ' ' LEU . 33.5 t -63.4 -42.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -59.88 -35.63 75.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.32 -39.7 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.47 -42.11 75.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.51 -35.96 81.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -30.38 71.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -75.47 -65.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 467' ' ' PRO . 0.0 OUTLIER -146.1 140.42 15.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.872 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 467' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 466' ' ' LYS . 38.0 Cg_exo -57.04 130.85 41.89 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.453 2.102 . . . . 0.0 112.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.746 ' HE3' HD23 ' A' ' 473' ' ' LEU . 46.0 mtm -138.84 148.68 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 472' ' ' ASP . 6.2 t -83.55 164.88 19.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.641 HG21 ' HA ' ' B' ' 954' ' ' GLU . 36.7 p -52.71 -44.84 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 471' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' B' ' 950' ' ' ALA . 45.4 tttm -58.73 -47.61 84.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 472' ' ' ASP . . . . . 0.537 ' H ' HG23 ' A' ' 469' ' ' THR . 96.0 m-20 -61.65 -36.96 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.013 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.746 HD23 ' HE3' ' A' ' 468' ' ' MET . 88.7 mt -61.63 -41.97 98.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.706 HD22 ' CE ' ' B' ' 949' ' ' MET . 10.2 mt -68.62 -35.35 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -60.57 -41.28 94.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -63.01 -35.3 79.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CE2' HG22 ' A' ' 482' ' ' THR . 0.3 OUTLIER -132.44 55.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.781 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.401 ' O ' ' HB ' ' A' ' 479' ' ' THR . 31.8 tt0 -60.8 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 478' ' ' GLN . 3.9 t 178.89 39.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -109.13 23.03 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.906 HG22 ' CE2' ' A' ' 477' ' ' PHE . 71.3 p -77.16 -38.25 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 95.62 -27.41 15.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.3 mt -108.12 155.41 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.2 t -59.5 165.67 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 490' ' ' VAL . 89.6 p -59.18 -31.65 69.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.76 -46.08 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.791 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.46 -37.28 80.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 493' ' ' LEU . 24.5 m -59.59 -40.81 88.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 486' ' ' SER . 38.9 t -67.29 -33.8 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.98 -58.1 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 495' ' ' GLN . 26.3 t -65.42 -28.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.182 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.699 ' HB3' HD11 ' B' ' 953' ' ' LEU . 16.5 mt -75.18 -38.47 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.586 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 494' ' ' ALA . . . . . 0.775 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -62.91 -43.26 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 495' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 492' ' ' VAL . 0.4 OUTLIER -72.55 -46.69 53.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.02 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.4 tt -63.01 -44.55 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 1.056 HD13 HD21 ' B' ' 953' ' ' LEU . 12.2 mt -70.39 -26.99 63.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 498' ' ' LYS . . . . . 0.726 ' O ' HD13 ' B' ' 960' ' ' LEU . 14.5 tptp -56.47 -51.06 69.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -79.17 -15.03 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.611 HD22 HD23 ' A' ' 497' ' ' LEU . 39.7 tp -45.33 -41.41 8.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.621 ' HA ' HD21 ' B' ' 960' ' ' LEU . 11.0 t-20 56.44 49.19 4.02 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.774 0.321 . . . . 0.0 110.965 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.726 ' HG3' HD21 ' B' ' 957' ' ' LEU . 71.7 Cg_endo -75.66 -168.31 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.692 2.261 . . . . 0.0 112.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -108.53 161.64 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.588 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -118.83 131.5 56.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -139.88 139.39 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.8 ptp -92.06 99.73 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 40.0 mt -116.82 128.32 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.98 42.3 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 59.26 31.09 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -141.71 151.31 42.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 9.9 mtt -84.66 119.41 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -115.77 166.5 11.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.515 ' CE2' HG23 ' A' ' 470' ' ' THR . 29.9 m-85 -110.77 139.18 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.9 p -140.79 155.17 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.3 110.19 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -92.86 132.68 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.943 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.93 96.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.17 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.87 -30.95 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 949' ' ' MET . . . . . 0.706 ' CE ' HD22 ' A' ' 474' ' ' LEU . 22.9 ttt -58.37 -38.56 77.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 950' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 471' ' ' LYS . . . -86.11 -46.63 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.408 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -57.22 -39.37 75.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.94 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 953' ' ' LEU . . . . . 1.056 HD21 HD13 ' A' ' 497' ' ' LEU . 9.3 tt -67.32 -40.4 85.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 954' ' ' GLU . . . . . 0.641 ' HA ' HG21 ' A' ' 470' ' ' THR . 71.2 tt0 -63.21 -45.35 92.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -56.79 -28.35 61.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.44 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 956' ' ' GLU . . . . . 0.775 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.6 mm-40 -73.11 -63.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.111 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 957' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 497' ' ' LEU . 8.2 tp -63.6 -29.04 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.185 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.24 -31.16 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -67.87 -37.65 82.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 960' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 498' ' ' LYS . 0.4 OUTLIER -72.61 -30.42 64.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.437 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.7 t0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.848 0.356 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.3 t -116.65 132.59 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -125.82 151.81 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 493' ' ' LEU . 21.9 t -111.03 130.8 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.74 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.2 t -138.71 156.89 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.73 -39.18 87.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.89 -38.55 82.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.74 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.91 -45.61 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.56 HG11 HD21 ' A' ' 497' ' ' LEU . 38.7 t -64.6 -46.42 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.1 -32.52 73.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -42.69 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.3 m-85 -66.07 -44.99 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.463 ' HB2' HD12 ' A' ' 515' ' ' LEU . 74.6 mt -65.31 -36.38 83.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.4 p -67.99 -33.76 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.13 -52.21 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.11 138.78 13.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.68 135.36 48.45 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.483 2.122 . . . . 0.0 112.17 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 82.6 mtp -136.71 167.27 21.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.3 p -105.62 164.77 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.922 HG23 ' CE2' ' A' ' 513' ' ' PHE . 23.2 p -58.16 -43.01 87.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 -40.83 96.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -67.62 -40.34 84.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.58 -44.64 93.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 474' ' ' LEU . 5.7 tt -66.34 -36.65 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.8 -30.27 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -57.21 -38.95 74.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.184 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.11 30.39 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.077 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.707 ' O ' HG23 ' A' ' 479' ' ' THR . 48.9 tt0 -63.91 -49.07 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.8 OUTLIER -169.75 33.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -64.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -130.78 -44.44 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.596 ' HB ' HD23 ' A' ' 484' ' ' LEU . 26.9 p -56.15 118.74 4.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 483' ' ' GLY . . . . . 0.419 ' C ' HD22 ' A' ' 484' ' ' LEU . . . -84.64 54.94 4.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.58 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.596 HD23 ' HB ' ' A' ' 482' ' ' THR . 3.0 mm? -104.42 145.07 30.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 t -59.81 153.63 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 490' ' ' VAL . 20.5 m -57.9 -41.8 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -71.07 -39.92 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.843 ' O ' HG23 ' A' ' 492' ' ' VAL . 66.0 mt-30 -64.98 -42.44 94.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 6.5 m -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 486' ' ' SER . 25.6 t -72.99 -39.7 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.5 -44.05 93.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 488' ' ' GLN . 30.1 t -63.56 -53.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.176 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.735 HD21 HG11 ' A' ' 454' ' ' VAL . 4.0 mm? -67.79 -30.81 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.578 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -64.99 -47.82 76.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.222 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.75 -38.12 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.08 -50.13 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.962 HD12 HD11 ' B' ' 953' ' ' LEU . 52.5 mt -64.85 -49.18 71.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.304 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.757 ' O ' HD23 ' B' ' 960' ' ' LEU . 4.4 tptm -47.66 -40.36 19.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 111.279 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -80.32 -15.84 55.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 0.0 111.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.769 HD23 ' HG3' ' A' ' 502' ' ' PRO . 28.4 tp -56.35 -37.26 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.732 ' HA ' HD22 ' B' ' 960' ' ' LEU . 8.9 p30 44.65 49.17 5.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.707 0.289 . . . . 0.0 111.33 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.769 ' HG3' HD23 ' A' ' 500' ' ' LEU . 71.6 Cg_endo -75.83 -168.39 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.43 2.087 . . . . 0.0 112.405 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -109.06 155.96 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -114.0 137.55 51.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -130.95 145.96 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.7 mtm -87.94 101.4 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.6 mt -118.42 121.72 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 25.3 t30 57.09 42.68 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.33 36.43 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.81 156.12 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 23.7 ptm -87.34 130.79 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -129.8 162.91 27.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.922 ' CE2' HG23 ' A' ' 470' ' ' THR . 97.0 m-85 -106.9 131.61 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.8 p -133.54 147.09 51.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.463 HD12 ' HB2' ' A' ' 463' ' ' LEU . 19.4 mt -132.88 136.43 46.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -127.04 94.93 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.867 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 86.9 p -61.15 -30.65 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 95.2 p -133.49 156.32 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 10.9 t -165.7 -66.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -60.1 -36.04 76.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.29 94.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.53 -40.73 92.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.66 -30.31 71.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.526 ' HE3' ' HA ' ' A' ' 486' ' ' SER . 28.1 ttt -56.77 -35.82 69.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.99 -28.44 24.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.301 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -57.44 -36.28 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.09 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 952' ' ' ALA . . . . . 0.495 ' HB3' HG11 ' A' ' 490' ' ' VAL . . . -59.83 -40.48 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.139 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 497' ' ' LEU . 20.8 tp -65.76 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.41 -33.72 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.48 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 956' ' ' GLU . . . . . 0.578 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.1 mm-40 -71.13 -61.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 1.028 HD23 HD21 ' B' ' 960' ' ' LEU . 27.2 mt -60.46 -19.62 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.333 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -55.37 -27.87 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.341 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -68.02 -63.39 1.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 1.028 HD21 HD23 ' B' ' 957' ' ' LEU . 3.9 pp -56.65 -27.56 58.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.129 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 961' ' ' MET . . . . . 0.64 ' N ' HD12 ' B' ' 960' ' ' LEU . 43.9 mtt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.1 t0 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.866 0.365 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.28 134.27 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -125.16 161.66 26.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.3 134.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.549 HG22 ' H ' ' A' ' 457' ' ' ASP . 42.6 m -97.32 137.65 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.59 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.5 tt0 -59.52 -35.43 74.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.549 ' H ' HG22 ' A' ' 455' ' ' THR . 92.1 m-20 -59.64 -38.0 80.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.35 -48.86 76.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.737 HG13 HD23 ' A' ' 473' ' ' LEU . 25.7 t -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.68 ' HG3' HD13 ' A' ' 515' ' ' LEU . 60.8 ttp180 -60.45 -37.5 81.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -57.68 -40.53 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 72.7 m-85 -66.55 -47.72 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.04 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.653 HD21 HD11 ' A' ' 473' ' ' LEU . 73.0 mt -67.62 -39.28 84.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 17.3 p -66.65 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -77.27 -50.01 13.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.08 145.57 25.07 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.36 122.13 7.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.0 112.339 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 66.5 mtm -136.33 160.1 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 511' ' ' MET . 22.2 p -87.49 167.06 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.867 HG23 ' CE1' ' A' ' 513' ' ' PHE . 32.7 p -54.89 -44.04 73.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.628 ' HA ' ' HB2' ' B' ' 950' ' ' ALA . 36.6 mttm -57.28 -40.45 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.94 -41.37 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.737 HD23 HG13 ' A' ' 459' ' ' VAL . 4.3 mp -66.35 -43.48 85.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.692 HD11 HG22 ' A' ' 490' ' ' VAL . 4.3 mm? -62.42 -44.84 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -54.97 -35.75 64.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -60.69 -38.93 86.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.6 32.87 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.717 ' O ' HG23 ' A' ' 479' ' ' THR . 51.1 tt0 -60.16 -44.65 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.7 OUTLIER -170.62 34.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -61.13 -68.41 0.31 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.57 29.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 70.3 p -78.32 -29.41 47.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 74.28 17.31 79.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.609 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 mt -120.02 144.56 47.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.0 t -65.76 167.17 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.794 ' O ' HG23 ' A' ' 490' ' ' VAL . 10.2 t -56.83 -40.38 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -69.05 -42.22 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.8 -43.58 83.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 31.6 m -62.27 -44.79 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 486' ' ' SER . 40.2 t -71.36 -33.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.21 -44.17 88.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 31.2 t -73.29 -49.65 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 497' ' ' LEU . 19.4 mt -63.34 -36.84 85.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.09 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.65 -41.28 68.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.24 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 456' ' ' GLU . 5.3 tt -67.63 -44.29 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.095 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.848 ' O ' HD21 ' B' ' 957' ' ' LEU . 5.9 mt -72.41 -36.53 68.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.847 ' O ' HD11 ' B' ' 960' ' ' LEU . 4.2 tmtt? -47.63 -45.06 27.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 111.315 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -79.3 -16.0 57.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.401 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 1.007 HD21 HD11 ' A' ' 515' ' ' LEU . 26.8 tp -55.23 -41.29 71.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.692 0.282 . . . . 0.0 111.645 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.772 ' CB ' HD22 ' B' ' 960' ' ' LEU . 15.9 t-20 55.04 51.56 7.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.77 ' HD2' HD22 ' B' ' 957' ' ' LEU . 72.0 Cg_endo -76.43 170.55 19.75 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.574 2.182 . . . . 0.0 112.381 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.28 160.78 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -128.32 129.72 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.77 148.46 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 21.9 ttt -88.95 107.67 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.428 ' HB ' ' CE1' ' A' ' 512' ' ' HIS . 33.2 mm -116.61 115.88 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 55.6 46.49 22.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 61.06 36.61 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -144.64 156.2 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.761 ' O ' HG22 ' A' ' 469' ' ' THR . 75.8 mtm -87.64 126.63 35.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.428 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 4.3 m80 -121.23 150.76 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 470' ' ' THR . 81.8 m-85 -107.06 127.57 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 22.7 t -133.03 142.54 48.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 1.007 HD11 HD21 ' A' ' 500' ' ' LEU . 5.4 mt -125.22 141.12 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -114.66 94.98 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 43.3 m -62.78 154.2 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 95.6 p -124.1 153.05 42.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 10.8 t -172.2 -52.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.98 -34.19 75.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.82 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.47 -37.36 87.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.37 -31.43 72.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.785 ' HA ' HG21 ' A' ' 490' ' ' VAL . 36.5 mtp -58.47 -48.47 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 471' ' ' LYS . . . -86.11 -32.65 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -57.53 -50.1 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.67 -31.9 67.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.639 HD11 ' CD1' ' A' ' 497' ' ' LEU . 4.6 tp -63.65 -44.59 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.411 ' HB2' HG21 ' A' ' 470' ' ' THR . 84.7 tt0 -71.73 -31.87 67.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.11 88.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.68 -40.66 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.848 HD21 ' O ' ' A' ' 497' ' ' LEU . 10.1 mt -75.48 -24.28 56.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -61.48 -17.35 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.71 -47.79 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 111.291 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 498' ' ' LYS . 0.5 OUTLIER -60.35 -35.25 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.93 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.626 ' O ' HG22 ' A' ' 482' ' ' THR . 14.5 p -107.49 138.38 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -126.07 164.95 19.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 477' ' ' PHE . 29.2 t -96.91 132.21 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 459' ' ' VAL . 17.2 p -124.3 155.08 39.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.5 tt0 -65.89 -41.12 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -61.82 -40.35 94.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.77 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.64 HG13 HD21 ' A' ' 473' ' ' LEU . 39.5 t -67.63 -37.72 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.901 ' O ' HG23 ' A' ' 464' ' ' THR . 61.6 ttp180 -58.18 -39.38 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -58.2 -34.88 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -64.44 -42.79 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.69 -37.83 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 460' ' ' ARG . 15.9 p -61.16 -33.21 73.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -79.35 -61.56 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.0 150.23 41.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 0.413 ' HB2' HD11 ' A' ' 507' ' ' ILE . 37.3 Cg_endo -66.05 129.17 21.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.197 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.453 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 76.5 mtp -137.29 158.84 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 473' ' ' LEU . 1.3 t -101.75 159.41 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.563 ' CG2' HD22 ' B' ' 953' ' ' LEU . 35.8 p -55.67 -44.11 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.423 ' HB2' ' HB1' ' B' ' 950' ' ' ALA . 86.6 tttt -56.58 -38.12 71.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ASP . . . . . 0.453 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 50.3 t0 -61.08 -37.19 81.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.64 HD21 HG13 ' A' ' 459' ' ' VAL . 6.8 mp -66.95 -40.62 87.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.682 HD13 ' HG2' ' B' ' 949' ' ' MET . 40.0 mt -59.37 -40.05 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.89 -37.04 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -62.12 -39.4 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.426 ' CE1' HG22 ' A' ' 454' ' ' VAL . 96.3 m-85 -87.78 -72.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 58.48 52.54 6.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 11.6 p 55.24 45.36 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.196 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 482' ' ' THR . 47.9 tttp -98.06 118.69 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 481' ' ' LYS . . . . . 0.507 ' C ' HG23 ' A' ' 482' ' ' THR . 0.0 OUTLIER 53.42 -160.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.777 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 452' ' ' VAL . 1.3 p 72.29 -59.95 0.54 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 483' ' ' GLY . . . . . 0.513 ' C ' HD22 ' A' ' 484' ' ' LEU . . . 106.12 20.87 8.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.643 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 484' ' ' LEU . 3.1 mm? -110.05 134.52 52.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 65.0 p -68.0 167.92 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 490' ' ' VAL . 24.7 m -56.68 -41.41 77.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -68.85 -41.48 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.42 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.591 HG22 HD12 ' A' ' 493' ' ' LEU . 38.3 m -59.62 -41.21 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 486' ' ' SER . 31.6 t -64.85 -35.9 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.04 -45.99 89.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.45 -49.98 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.693 ' HB3' HD11 ' B' ' 953' ' ' LEU . 18.1 mt -62.83 -39.5 94.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.429 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -62.84 -46.01 89.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -70.76 -40.4 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 456' ' ' GLU . 3.5 tt -71.61 -43.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 1.007 HD13 HD21 ' B' ' 953' ' ' LEU . 18.0 mt -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.778 ' O ' HD11 ' B' ' 960' ' ' LEU . 12.0 tptm -53.04 -51.13 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.28 -15.54 56.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.796 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 497' ' ' LEU . 0.2 OUTLIER -45.65 -27.93 0.89 Allowed 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.21 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.719 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER 50.06 48.64 6.26 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.356 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.934 ' HG3' HD21 ' B' ' 957' ' ' LEU . 88.7 Cg_endo -83.56 138.2 8.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.29 1.993 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.13 137.73 55.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -84.41 128.45 34.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -141.68 131.61 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.31 124.04 38.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.045 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 467' ' ' PRO . 45.0 mt -115.27 119.43 61.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.9 m120 63.25 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -160.12 29.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -135.23 155.33 50.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.6 ttp -86.45 126.4 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -131.57 166.3 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 79.0 m-85 -119.71 156.12 31.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 85.8 p -146.72 153.78 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.709 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.2 OUTLIER -140.08 127.14 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -97.46 129.74 44.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.922 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 23.7 m -59.42 -35.72 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 28.9 t -125.99 139.9 53.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.3 m -176.88 -64.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -67.43 -29.41 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.95 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.01 -43.44 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.76 -31.08 70.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.682 ' HG2' HD13 ' A' ' 474' ' ' LEU . 0.7 OUTLIER -57.69 -37.47 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 471' ' ' LYS . . . -86.06 -51.05 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -58.13 -41.22 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 497' ' ' LEU . 9.1 tt -67.92 -40.12 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.04 -38.72 92.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -55.37 -27.02 44.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.385 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 956' ' ' GLU . . . . . 0.429 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.2 mm-40 -80.16 -59.88 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.19 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.934 HD21 ' HG3' ' A' ' 502' ' ' PRO . 10.8 tp -65.71 -31.41 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.2 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -57.72 -20.22 32.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.206 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.778 HD11 ' O ' ' A' ' 498' ' ' LYS . 11.7 mt -55.14 -39.56 69.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.91 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 12.8 p -106.46 138.45 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -133.23 162.2 32.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.518 HG11 HD21 ' A' ' 493' ' ' LEU . 22.5 t -101.66 129.71 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 457' ' ' ASP . 29.2 m -130.49 144.61 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.413 ' HB2' HD13 ' A' ' 496' ' ' ILE . 85.6 tt0 -59.11 -36.2 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.514 ' H ' HG22 ' A' ' 455' ' ' THR . 22.0 t70 -59.46 -39.1 82.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.84 94.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.94 -43.65 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.29 -36.42 75.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -57.75 -42.67 84.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -68.1 -45.15 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 513' ' ' PHE . 35.2 mt -66.54 -35.49 80.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -65.96 -31.91 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -77.46 -56.96 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.09 149.06 37.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.25 132.68 21.38 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.641 2.227 . . . . 0.0 112.276 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 62.4 mtm -141.04 155.16 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 11.1 t -84.82 167.81 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' THR . . . . . 1.054 HG22 HD23 ' B' ' 953' ' ' LEU . 0.5 OUTLIER -57.97 -38.04 75.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -59.46 -42.75 92.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.08 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.75 -41.61 91.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 950' ' ' ALA . 26.8 mt -69.32 -31.55 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -56.08 -26.81 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 75.8 mmtt -57.26 -36.74 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.026 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' A' ' 482' ' ' THR . 87.0 m-85 -157.15 47.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -72.34 -42.7 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 57.1 p -126.96 27.73 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' LYS . . . . . 0.44 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 61.7 mttp -98.07 148.47 23.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 83.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.467 HG21 ' HB3' ' A' ' 477' ' ' PHE . 36.1 p -112.33 25.47 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.034 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 77.15 -60.89 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 mt -80.2 144.69 32.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 53.1 p -67.3 163.47 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.7 m -58.61 -38.14 77.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -67.14 -47.37 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.1 -32.28 73.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.427 ' O ' HD23 ' A' ' 493' ' ' LEU . 45.6 m -57.69 -41.19 81.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.41 -41.81 93.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -60.74 -46.56 89.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.87 -46.28 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 497' ' ' LEU . 3.8 mm? -62.34 -43.55 98.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.52 71.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.281 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -60.83 -41.08 95.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.566 HG22 HD22 ' A' ' 497' ' ' LEU . 0.9 OUTLIER -78.32 -42.11 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 121.041 0.448 . . . . 0.0 110.648 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.628 ' CD1' HD22 ' A' ' 500' ' ' LEU . 3.5 mm? -68.45 -35.07 77.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.294 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.608 ' O ' HD21 ' B' ' 960' ' ' LEU . 14.4 tptt -47.94 -55.2 10.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.567 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.69 -15.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.072 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 515' ' ' LEU . 32.3 tp -45.36 -56.09 5.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.857 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.571 ' CA ' HD13 ' B' ' 960' ' ' LEU . 23.4 t-20 55.95 51.02 5.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.688 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.0 Cg_endo -76.3 158.02 37.17 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.675 2.25 . . . . 0.0 112.181 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -57.93 132.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.706 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -97.32 99.02 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.197 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -107.26 148.11 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' MET . . . . . 0.44 ' O ' HD13 ' A' ' 507' ' ' ILE . 2.8 tpp -96.71 108.96 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 506' ' ' MET . 33.8 mm -122.07 121.88 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 56.93 43.57 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.88 29.8 19.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -134.86 149.39 50.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 65.7 mtt -79.65 112.61 17.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -110.79 144.65 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.79 ' CE2' HG23 ' A' ' 470' ' ' THR . 76.9 m-85 -105.71 136.89 44.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 10.9 t -142.65 141.39 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 500' ' ' LEU . 17.6 mt -122.68 137.68 54.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -118.97 94.96 4.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 48.9 m -120.34 146.86 45.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 48.2 m -121.61 146.89 46.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.13 -58.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.49 -35.22 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.96 92.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.46 -39.75 88.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.31 -37.37 87.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 70.6 mtm -61.0 -38.17 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 474' ' ' LEU . . . -75.68 -46.44 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.51 -36.77 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.057 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.07 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 1.054 HD23 HG22 ' A' ' 470' ' ' THR . 4.2 tp -68.45 -35.14 77.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.74 -55.41 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.145 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.93 61.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.26 -39.09 72.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.209 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.536 HD13 HD12 ' B' ' 960' ' ' LEU . 0.4 OUTLIER -88.96 -10.09 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.372 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.2 -32.15 54.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -67.98 -31.53 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 498' ' ' LYS . 32.4 mt -58.49 -34.15 70.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 36.0 ttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.85 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.02 129.96 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -118.89 120.0 36.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.66 135.15 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.761 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.3 t -135.5 152.0 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.512 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.61 -39.6 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.761 ' H ' HG23 ' A' ' 455' ' ' THR . . . -63.08 -41.45 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.412 HG11 HD21 ' A' ' 497' ' ' LEU . 32.4 t -65.31 -41.71 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.556 ' HG3' HD22 ' A' ' 515' ' ' LEU . 41.9 ttp180 -59.13 -40.56 85.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -60.64 -40.74 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.65 -45.57 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.29 -35.44 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -64.36 -31.15 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -81.75 -59.67 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -146.02 150.07 40.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.65 138.42 45.33 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 112.268 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.401 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 89.6 mtp -132.61 150.87 52.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 511' ' ' MET . 43.7 p -91.37 165.45 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.924 HG23 ' CE1' ' A' ' 513' ' ' PHE . 35.4 p -57.53 -44.76 85.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -60.17 -44.34 95.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ASP . . . . . 0.401 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 49.2 t0 -59.03 -37.66 77.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.63 -42.26 87.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.591 HD21 HG22 ' A' ' 490' ' ' VAL . 0.2 OUTLIER -73.2 -40.69 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -59.45 -34.72 72.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.804 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -59.55 -34.82 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.63 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.432 ' CD2' ' HD3' ' A' ' 480' ' ' LYS . 95.6 m-85 -130.1 39.14 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 479' ' ' THR . 52.6 tt0 -55.74 -43.03 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.8 OUTLIER -158.18 87.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.998 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 480' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 477' ' ' PHE . 13.1 mtpt -124.04 165.93 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.51 65.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.3 p -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 106.71 -26.5 19.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.66 147.61 27.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.3 m -59.5 160.31 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.7 m -57.69 -40.03 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.52 -40.02 88.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.11 -36.02 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.573 HG22 HD13 ' A' ' 493' ' ' LEU . 18.7 m -59.11 -41.37 87.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.591 HG22 HD21 ' A' ' 474' ' ' LEU . 32.3 t -62.93 -38.4 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -58.97 -44.6 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 37.8 t -71.89 -48.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.573 HD13 HG22 ' A' ' 489' ' ' THR . 8.9 mp -64.72 -34.18 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.81 ' HA ' HD12 ' B' ' 953' ' ' LEU . . . -67.86 -45.59 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -71.06 -37.39 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 456' ' ' GLU . 4.6 tt -72.0 -44.82 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.044 0.45 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 1.104 HD12 HD11 ' B' ' 953' ' ' LEU . 18.3 mt -71.56 -43.92 65.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.368 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.988 ' O ' HD11 ' B' ' 960' ' ' LEU . 2.2 tmtt? -47.18 -44.32 21.98 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.687 0.279 . . . . 0.0 111.454 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -79.79 -15.63 57.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.837 0.351 . . . . 0.0 111.196 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 502' ' ' PRO . 17.8 tp -54.6 -41.2 69.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.961 ' HA ' HD13 ' B' ' 960' ' ' LEU . 38.0 m-80 60.29 49.6 2.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.977 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.801 ' HD2' HD22 ' B' ' 957' ' ' LEU . 7.9 Cg_exo -71.22 143.5 44.08 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.186 1.924 . . . . 0.0 112.106 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -61.5 132.43 53.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.437 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -96.49 120.68 37.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 111.096 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -134.04 149.68 51.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.3 ptp -101.45 108.71 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -118.98 127.53 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.82 42.52 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 59.02 35.46 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -143.83 153.39 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 469' ' ' THR . 64.8 mtt -85.86 124.63 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.439 ' ND1' HG23 ' A' ' 469' ' ' THR . 68.9 m-70 -127.76 159.15 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.924 ' CE1' HG23 ' A' ' 470' ' ' THR . 93.1 m-85 -110.12 136.71 48.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.773 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 31.4 t -131.93 150.26 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.556 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -138.47 113.28 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -89.48 132.22 35.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.851 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 85.4 p -60.61 -31.06 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 75.6 m 57.36 36.01 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 85.7 p -59.55 -32.69 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.4 -39.07 93.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -73.09 -39.08 66.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.56 -38.12 80.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -65.47 -41.99 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 35.5 mtm -68.93 -38.68 79.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.31 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -58.46 -46.67 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.999 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 1.104 HD11 HD12 ' A' ' 497' ' ' LEU . 11.5 tp -68.47 -44.79 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.693 ' HB3' HG21 ' A' ' 470' ' ' THR . 22.3 pt-20 -72.8 -35.83 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.87 -30.79 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -51.36 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.868 HD21 ' O ' ' A' ' 497' ' ' LEU . 31.2 mt -63.99 -29.58 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.121 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 958' ' ' ASN . . . . . 0.555 ' O ' ' HE2' ' B' ' 961' ' ' MET . 98.9 m-20 -57.21 -26.6 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.159 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -67.82 -35.69 79.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.988 HD11 ' O ' ' A' ' 498' ' ' LYS . 8.1 mt -64.81 -26.91 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 961' ' ' MET . . . . . 0.555 ' HE2' ' O ' ' B' ' 958' ' ' ASN . 73.4 mtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.872 0.368 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.562 ' CG1' HG22 ' A' ' 482' ' ' THR . 11.7 p -105.94 140.29 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -113.78 156.95 22.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 24.5 t -103.87 133.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 457' ' ' ASP . 58.2 m -123.48 140.87 52.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.21 -36.49 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.558 ' H ' HG22 ' A' ' 455' ' ' THR . 89.6 m-20 -59.56 -40.85 88.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.27 92.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.88 -42.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.56 -40.89 88.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 34.9 mtm105 -59.24 -39.42 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -68.73 -46.42 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.675 ' CD1' HD21 ' A' ' 500' ' ' LEU . 44.4 mt -67.01 -36.82 82.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.032 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.0 p -64.26 -30.84 71.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.3 tpt85 -73.93 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 145.67 25.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.77 133.52 57.81 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.512 2.142 . . . . 0.0 112.202 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.432 ' HB2' HD23 ' A' ' 463' ' ' LEU . 85.2 mtp -130.34 150.41 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.439 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.4 p -96.68 169.0 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.517 HG23 ' HE2' ' A' ' 513' ' ' PHE . 67.9 p -57.98 -47.83 81.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.512 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 7.4 mtmp? -63.72 -34.77 78.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -58.98 -36.6 75.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.787 HD13 HD11 ' A' ' 497' ' ' LEU . 71.1 mt -59.77 -46.27 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.29 -35.7 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.22 -41.36 92.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -34.86 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.751 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.81 72.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -75.39 -177.99 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.1 t -55.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' LYS . . . . . 0.712 ' HG3' HG23 ' A' ' 482' ' ' THR . 59.6 pttt -132.31 -171.27 2.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.28 65.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.712 HG23 ' HG3' ' A' ' 480' ' ' LYS . 67.4 p -105.65 -26.08 11.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.3 -25.7 26.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.79 140.33 37.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.771 0.319 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.6 m -65.41 160.33 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 490' ' ' VAL . 19.4 m -58.34 -38.25 76.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.45 -40.91 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.579 ' O ' HG23 ' A' ' 492' ' ' VAL . 93.9 mt-30 -63.97 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.528 HG22 HD13 ' A' ' 493' ' ' LEU . 40.2 m -61.43 -42.48 98.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 486' ' ' SER . 38.9 t -60.31 -43.43 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 488' ' ' GLN . 40.0 t -66.36 -48.77 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.528 HD13 HG22 ' A' ' 489' ' ' THR . 7.8 mp -69.13 -33.44 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.39 82.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -67.22 -36.72 82.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -76.64 -47.99 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.787 HD11 HD13 ' A' ' 473' ' ' LEU . 76.3 mt -60.66 -35.58 76.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.906 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -51.61 -55.14 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.281 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -73.58 -15.86 61.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.301 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.675 HD21 ' CD1' ' A' ' 463' ' ' LEU . 18.9 tp -48.42 -37.94 18.4 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.76 ' HA ' HD21 ' B' ' 960' ' ' LEU . 22.5 t30 60.16 52.52 3.31 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 94.3 Cg_endo -78.92 159.97 27.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.17 130.32 37.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.705 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -92.27 124.13 36.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -128.29 148.04 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -91.89 97.51 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -118.71 121.57 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 5.2 m120 57.95 41.96 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 58.91 37.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -149.49 141.72 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -75.66 124.23 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.439 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 62.9 m80 -121.67 143.3 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.517 ' HE2' HG23 ' A' ' 470' ' ' THR . 87.5 m-85 -101.74 129.04 47.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.1 t -143.43 140.48 30.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 18.1 mt -114.29 138.99 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -124.16 94.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.888 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 42.1 m -62.88 150.8 40.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 2.0 m -170.34 34.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.1 m -124.5 -75.57 0.6 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.66 -36.88 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.96 -42.25 90.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.13 -38.48 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.99 -36.79 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.98 -40.77 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -85.51 -29.5 24.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -58.6 -43.52 89.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.1 72.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.774 HD21 HD13 ' A' ' 497' ' ' LEU . 10.1 tt -66.09 -44.67 83.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.79 -38.98 90.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.84 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.72 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.636 ' CD2' HD22 ' B' ' 960' ' ' LEU . 2.5 mt -62.93 -24.07 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.966 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -54.48 -31.91 56.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.969 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -68.01 -44.52 76.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -72.82 -37.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.619 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 961' ' ' MET . . . . . 0.444 ' N ' HD23 ' B' ' 960' ' ' LEU . 15.6 ptp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.436 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 46.7 p30 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.878 0.371 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.591 HG21 ' NZ ' ' A' ' 480' ' ' LYS . 21.4 t -111.32 132.0 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -112.72 117.78 33.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.89 131.71 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.738 HG23 ' H ' ' A' ' 458' ' ' ALA . 12.7 t -137.34 157.63 46.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.83 -38.27 87.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -59.09 -42.69 91.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.738 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.75 -39.57 93.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 455' ' ' THR . 27.3 t -66.72 -46.11 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.009 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -59.27 -38.78 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.439 ' CZ ' ' HE2' ' A' ' 476' ' ' LYS . 23.1 m-85 -70.34 -44.8 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.98 -34.74 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.2 p -61.7 -24.89 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -80.76 -65.12 1.05 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 150.05 40.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.27 135.57 65.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.227 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 90.2 mtp -134.23 145.07 48.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 42.2 p -90.62 161.53 15.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.639 HG21 ' CB ' ' B' ' 954' ' ' GLU . 42.1 p -58.05 -45.95 86.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -60.93 -43.04 99.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.09 -38.94 92.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.71 -41.07 88.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.711 HD21 HG22 ' A' ' 490' ' ' VAL . 0.4 OUTLIER -64.5 -40.91 96.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.36 -30.09 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.439 ' HE2' ' CZ ' ' A' ' 462' ' ' TYR . 36.6 tttp -58.0 -36.5 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.415 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 74.4 m-85 -133.19 30.44 3.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.509 ' HG3' HG23 ' A' ' 479' ' ' THR . 17.7 pt20 -68.34 -46.38 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.099 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.509 HG23 ' HG3' ' A' ' 478' ' ' GLN . 53.2 p -133.51 26.07 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 480' ' ' LYS . . . . . 0.591 ' NZ ' HG21 ' A' ' 452' ' ' VAL . 13.8 ttpp -79.83 148.97 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -61.88 84.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 43.8 p -116.02 -24.21 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.8 -22.36 35.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.8 mm? -96.15 143.78 26.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.4 m -60.53 160.18 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.9 m -57.43 -42.41 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.72 -40.22 72.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.58 -34.92 78.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.452 HG22 HD12 ' A' ' 493' ' ' LEU . 28.8 m -58.3 -41.78 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' B' ' 949' ' ' MET . 33.8 t -64.64 -39.58 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -58.23 -44.85 88.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.29 -44.92 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 497' ' ' LEU . 18.5 mt -64.21 -39.29 93.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.538 ' HB1' ' HG2' ' B' ' 956' ' ' GLU . . . -64.2 -38.98 92.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -76.98 -44.74 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.2 tt -64.21 -44.64 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.078 0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 1.122 HD13 HD21 ' B' ' 953' ' ' LEU . 6.6 mt -68.98 -31.4 70.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.702 ' O ' HD11 ' B' ' 960' ' ' LEU . 13.0 tptm -47.87 -50.48 26.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -79.96 -15.5 57.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.773 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.742 HD22 HD23 ' A' ' 497' ' ' LEU . 54.1 tp -45.72 -54.0 8.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.633 ' HA ' HD13 ' B' ' 960' ' ' LEU . 4.7 m-20 65.61 48.42 0.62 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.56 ' HG3' HD23 ' A' ' 500' ' ' LEU . 73.8 Cg_endo -74.7 175.97 10.41 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.564 2.176 . . . . 0.0 112.212 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.34 160.46 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.744 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -121.38 126.43 49.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.69 131.76 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -84.97 108.05 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.583 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 45.2 mt -118.76 122.21 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 57.34 43.39 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.07 31.23 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.52 153.25 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.45 ' HE1' ' CZ ' ' A' ' 513' ' ' PHE . 2.8 tmm? -86.83 123.07 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.583 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 66.7 m-70 -124.82 146.6 49.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.45 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 31.7 m-85 -103.83 135.43 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.7 t -145.22 143.58 30.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 502' ' ' PRO . 0.1 OUTLIER -118.6 130.21 55.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -93.92 126.84 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.909 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 88.4 p -124.22 155.28 38.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 32.1 t -118.21 140.22 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.37 -56.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.73 -34.36 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.12 85.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.38 -36.54 82.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.25 -42.56 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.741 ' HB2' HG21 ' A' ' 490' ' ' VAL . 6.3 ptt? -75.13 -31.05 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.36 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -59.04 -39.25 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.51 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 1.122 HD21 HD13 ' A' ' 497' ' ' LEU . 8.8 tt -61.83 -41.09 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.639 ' CB ' HG21 ' A' ' 470' ' ' THR . 85.5 tt0 -65.41 -43.39 90.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.57 74.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 956' ' ' GLU . . . . . 0.538 ' HG2' ' HB1' ' A' ' 494' ' ' ALA . 45.8 tp10 -65.05 -44.42 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.792 HD21 ' O ' ' A' ' 497' ' ' LEU . 2.0 mt -77.11 -29.03 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -55.61 -23.41 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.238 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -67.87 -29.93 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.145 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.702 HD11 ' O ' ' A' ' 498' ' ' LYS . 12.5 mt -52.21 -69.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.846 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.6 t0 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.832 0.349 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.2 p -107.43 136.54 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -117.72 136.02 53.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' A' ' 477' ' ' PHE . 5.7 m -72.88 129.68 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.1 p -127.82 150.64 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.488 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -68.09 -40.02 82.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.64 -39.88 89.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.34 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.2 -39.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.737 ' HG3' HD13 ' A' ' 515' ' ' LEU . 36.1 ttm180 -59.38 -36.4 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -58.38 -39.72 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.444 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 54.3 m-85 -70.05 -46.21 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.57 HD12 HD12 ' A' ' 515' ' ' LEU . 59.6 mt -67.5 -34.4 77.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.0 p -62.52 -31.22 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -77.0 -59.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -146.11 143.09 18.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.774 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.02 137.78 69.69 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 79.9 mtp -135.83 155.59 50.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.404 HG22 ' CD2' ' A' ' 512' ' ' HIS . 23.0 p -87.75 165.12 15.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.839 HG23 ' CE2' ' A' ' 513' ' ' PHE . 0.8 OUTLIER -57.93 -46.89 84.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.593 ' HE3' ' HB1' ' B' ' 946' ' ' ALA . 86.2 tttt -59.21 -39.76 83.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -62.13 -38.59 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.46 -45.71 89.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.586 HD21 ' CE ' ' B' ' 949' ' ' MET . 28.8 tp -65.8 -33.61 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -58.66 -36.79 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.444 ' HD3' ' CE2' ' A' ' 462' ' ' TYR . 52.2 mttm -59.46 -30.46 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.556 ' O ' HG21 ' A' ' 489' ' ' THR . 98.1 m-85 -131.48 78.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.27 172.91 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.4 t -56.37 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.89 -76.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -134.36 14.22 3.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.2 p -69.24 -28.58 66.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.86 -26.03 26.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 54.3 mt -100.38 145.97 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.5 m -59.58 164.0 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.539 ' HB2' ' HE3' ' B' ' 949' ' ' MET . 86.8 p -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.63 -39.38 73.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.01 -37.17 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.705 HG22 HD12 ' A' ' 493' ' ' LEU . 23.2 m -59.5 -39.58 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.43 -34.61 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -58.55 -46.26 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.0 t -72.44 -47.67 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.705 HD12 HG22 ' A' ' 489' ' ' THR . 9.8 mt -62.99 -38.83 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -77.3 -44.82 28.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 456' ' ' GLU . 4.3 tt -63.46 -45.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.145 0.498 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.666 ' O ' HD21 ' B' ' 957' ' ' LEU . 4.6 mt -66.37 -33.23 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.752 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.737 ' O ' HD11 ' B' ' 960' ' ' LEU . 15.3 tptm -50.4 -48.89 55.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -80.22 -15.52 56.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.671 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.625 HD22 HD23 ' A' ' 497' ' ' LEU . 53.3 tp -45.61 -54.67 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.634 ' HA ' HD13 ' B' ' 960' ' ' LEU . 2.3 t30 66.64 47.65 0.48 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.726 0.298 . . . . 0.0 111.0 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.617 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.4 Cg_endo -75.44 172.04 17.09 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.528 2.152 . . . . 0.0 112.245 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -96.05 131.34 42.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -99.0 129.71 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -133.26 144.3 49.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.11 102.84 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.5 mt -119.99 124.62 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.71 40.88 26.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.31 30.45 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -141.71 140.33 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 125.96 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.404 ' CD2' HG22 ' A' ' 469' ' ' THR . 61.2 m80 -126.71 152.11 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.839 ' CE2' HG23 ' A' ' 470' ' ' THR . 61.4 m-85 -104.46 127.92 52.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.3 t -134.64 134.34 41.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 460' ' ' ARG . 15.3 mt -115.03 140.22 49.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -125.11 94.91 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.878 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 29.7 t -119.79 141.7 49.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 943' ' ' SER . . . . . 0.423 ' HB2' ' HB3' ' B' ' 946' ' ' ALA . 0.9 OUTLIER -150.8 -50.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 15.7 m 67.39 -70.0 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.14 -36.67 78.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 946' ' ' ALA . . . . . 0.593 ' HB1' ' HE3' ' A' ' 471' ' ' LYS . . . -70.29 -36.25 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.82 -45.03 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.4 -33.3 60.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.586 ' CE ' HD21 ' A' ' 474' ' ' LEU . 0.0 OUTLIER -62.82 -43.61 98.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.72 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -58.71 -43.24 90.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.61 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 470' ' ' THR . 1.5 tp -62.11 -50.39 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.603 ' CA ' HG21 ' A' ' 470' ' ' THR . 83.6 tt0 -71.97 -36.52 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.323 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -85.18 -43.84 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 497' ' ' LEU . 0.6 OUTLIER -77.11 -24.88 51.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.731 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -58.22 -19.25 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.383 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 959' ' ' ASP . . . . . 0.401 ' HB3' ' CE ' ' A' ' 498' ' ' LYS . 45.6 t0 -67.79 -31.63 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.236 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.737 HD11 ' O ' ' A' ' 498' ' ' LYS . 15.6 mt -54.87 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 59.5 ttp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.932 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.1 t0 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.0 p -107.1 137.15 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -118.68 149.54 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.3 t -109.29 128.42 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 459' ' ' VAL . 22.7 p -129.99 159.83 35.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.473 ' HB2' HD13 ' A' ' 496' ' ' ILE . 86.9 tt0 -63.93 -40.39 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.15 -38.42 86.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.983 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.86 -44.13 90.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 455' ' ' THR . 24.6 t -61.85 -47.46 93.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.833 ' HG3' HD13 ' A' ' 515' ' ' LEU . 26.0 ttm105 -61.81 -36.69 81.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -57.19 -40.55 77.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 79.3 m-85 -69.98 -42.79 72.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.936 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.685 HD13 HD12 ' A' ' 515' ' ' LEU . 7.7 mt -66.68 -34.78 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -64.88 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.51 -59.88 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -146.12 146.09 26.86 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.23 132.54 52.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.516 2.144 . . . . 0.0 112.198 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.55 ' CG ' HD23 ' A' ' 463' ' ' LEU . 7.6 ptm -147.28 148.37 31.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 31.1 p -80.08 162.81 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.702 HG23 ' CD2' ' A' ' 513' ' ' PHE . 1.0 OUTLIER -62.44 -33.52 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.985 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.538 ' HA ' ' HB1' ' B' ' 950' ' ' ALA . 64.3 tttm -57.28 -42.42 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.53 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.452 HD23 ' CE ' ' A' ' 468' ' ' MET . 67.8 mt -62.58 -41.88 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 490' ' ' VAL . 2.2 tm? -68.21 -49.48 60.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -64.59 -35.54 81.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -58.3 -40.14 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.406 ' O ' HG21 ' A' ' 489' ' ' THR . 97.2 m-85 -126.09 70.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 49.0 p -92.91 15.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.343 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -97.71 -69.68 0.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -176.32 48.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.87 121.97 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -57.93 -22.3 47.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.406 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 tp -79.91 149.28 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 24.4 m -57.89 150.74 19.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.2 p -62.41 -36.03 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.3 -44.51 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.728 ' O ' HG23 ' A' ' 492' ' ' VAL . 41.5 mt-30 -66.14 -35.85 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 477' ' ' PHE . 31.9 m -59.29 -40.41 86.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 486' ' ' SER . 27.1 t -60.51 -46.14 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -61.86 -38.88 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.9 t -62.15 -51.57 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.83 -36.27 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.429 ' HB1' ' OE1' ' B' ' 956' ' ' GLU . . . -63.76 -47.87 79.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.205 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.87 -35.54 76.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 456' ' ' GLU . 0.3 OUTLIER -78.07 -49.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.949 HD13 HD21 ' B' ' 953' ' ' LEU . 41.0 mt -60.64 -40.34 91.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.729 ' O ' HD22 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -48.15 -53.33 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.57 -179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -79.13 -15.39 58.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.564 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.912 HD21 HD21 ' A' ' 515' ' ' LEU . 5.8 tt -45.73 -45.35 14.35 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.554 ' HA ' HD21 ' B' ' 960' ' ' LEU . 4.5 t30 63.79 54.79 1.67 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.984 0.421 . . . . 0.0 110.626 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.879 ' HG3' HD21 ' B' ' 957' ' ' LEU . 75.6 Cg_endo -77.06 -168.59 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.814 2.343 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -109.15 156.02 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.6 mtm105 -112.44 131.15 55.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' LYS . . . . . 0.657 ' CD ' HD11 ' A' ' 507' ' ' ILE . 1.6 ttmp? -136.95 133.85 36.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.47 107.87 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.657 HD11 ' CD ' ' A' ' 505' ' ' LYS . 36.7 mm -118.72 117.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 56.44 43.81 25.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 60.2 37.87 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -146.89 137.88 23.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 24.0 ptm -66.09 123.33 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 6.2 m80 -121.98 150.39 42.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.702 ' CD2' HG23 ' A' ' 470' ' ' THR . 41.4 m-85 -98.61 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.2 t -138.76 145.49 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.912 HD21 HD21 ' A' ' 500' ' ' LEU . 1.6 mt -127.51 135.7 50.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -111.56 99.62 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.892 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 86.2 p -61.0 -30.6 70.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 44.4 m -62.48 153.09 32.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 84.2 p -133.09 -63.88 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.29 -35.27 78.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.8 98.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -60.43 -35.4 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 65.9 ttp -80.82 -35.36 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 471' ' ' LYS . . . -70.28 -35.4 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -29.33 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.09 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.949 HD21 HD13 ' A' ' 497' ' ' LEU . 9.3 tt -66.34 -44.38 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.66 -30.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.056 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.36 -33.66 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 956' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 494' ' ' ALA . 91.1 mt-10 -78.27 -54.43 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' A' ' 502' ' ' PRO . 13.0 tp -64.66 -32.98 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -60.32 -38.26 83.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.01 -41.57 82.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 498' ' ' LYS . 0.4 OUTLIER -59.48 -34.95 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.738 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 17.5 ttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.868 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.843 0.354 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.492 ' O ' HG22 ' A' ' 482' ' ' THR . 13.9 p -107.3 140.88 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -98.42 161.9 13.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 493' ' ' LEU . 29.1 t -99.96 133.45 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.09 155.89 26.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.4 -37.45 80.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -58.26 -51.35 70.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.197 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.406 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -58.33 -36.54 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.598 HG11 HD21 ' A' ' 497' ' ' LEU . 38.2 t -79.08 -39.03 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.845 ' O ' HG23 ' A' ' 464' ' ' THR . 26.1 ttm105 -62.51 -45.27 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.339 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -56.64 -38.18 71.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.225 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 20.5 m-85 -62.44 -44.87 95.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.065 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.603 HD12 HD12 ' A' ' 515' ' ' LEU . 82.2 mt -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 460' ' ' ARG . 62.7 p -60.41 -32.73 71.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -80.97 -49.05 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 140.83 15.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 128.81 14.87 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.51 2.14 . . . . 0.0 112.225 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.6 163.7 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.814 HG23 ' CD2' ' A' ' 512' ' ' HIS . 19.0 p -92.25 173.29 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.815 ' CB ' HD23 ' B' ' 953' ' ' LEU . 4.9 p -57.64 -44.3 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.729 ' HD2' ' HB2' ' B' ' 950' ' ' ALA . 0.0 OUTLIER -58.74 -39.38 80.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.984 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.1 -37.67 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.631 HD12 HD21 ' B' ' 953' ' ' LEU . 71.4 mt -62.15 -41.06 97.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' B' ' 949' ' ' MET . 59.6 mt -67.72 -36.87 81.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.11 -35.98 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -61.38 -33.1 73.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -151.75 66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -89.21 -68.77 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 70.8 p -117.4 32.38 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.734 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -173.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -50.16 -25.35 3.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.525 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 452' ' ' VAL . 43.6 p -46.95 -31.5 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 63.23 29.3 74.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.646 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 75.6 mt -93.97 130.05 40.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -61.72 163.79 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.2 p -58.02 -38.06 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -76.02 -38.76 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 492' ' ' VAL . 94.6 mt-30 -71.39 -39.87 70.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.46 HG22 HD12 ' A' ' 493' ' ' LEU . 37.5 m -60.71 -47.9 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' B' ' 949' ' ' MET . 15.4 m -62.75 -43.47 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 490' ' ' VAL . 86.5 m-20 -52.19 -35.88 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.275 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 488' ' ' GLN . 25.1 t -81.0 -59.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.528 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 497' ' ' LEU . 39.2 mt -60.3 -44.54 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.394 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' B' ' 953' ' ' LEU . . . -60.25 -41.51 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -74.74 -45.02 46.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.4 tt -63.67 -43.53 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 493' ' ' LEU . 1.2 mt -72.68 -26.96 61.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.82 ' O ' HD13 ' B' ' 960' ' ' LEU . 10.3 tmtt? -48.39 -54.99 11.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 111.443 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 499' ' ' ARG . . . . . 0.565 ' HA ' HD13 ' B' ' 960' ' ' LEU . 95.6 mtt180 -77.42 -15.82 59.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.592 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.645 HD22 HD23 ' A' ' 497' ' ' LEU . 25.7 tp -47.78 -36.15 11.19 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.879 ' HA ' HD21 ' B' ' 960' ' ' LEU . 0.3 OUTLIER 57.45 52.37 5.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.442 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 81.6 Cg_endo -77.55 138.22 17.12 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.583 2.188 . . . . 0.0 112.305 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.62 138.71 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.428 ' NH1' ' HE1' ' B' ' 961' ' ' MET . 28.2 ptt180 -104.3 123.82 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -132.41 146.46 51.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 17.7 ptp -92.79 109.74 21.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -119.56 127.61 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.0 42.98 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 59.68 30.69 20.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 469' ' ' THR . 45.0 tttp -144.93 138.44 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.564 ' O ' HG22 ' A' ' 469' ' ' THR . 24.7 ptt? -73.09 128.98 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.814 ' CD2' HG23 ' A' ' 469' ' ' THR . 63.5 m80 -130.98 166.27 21.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.723 ' HE2' HG23 ' A' ' 470' ' ' THR . 47.8 m-85 -106.25 132.64 52.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.6 t -136.95 143.31 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.727 HD13 ' HG3' ' A' ' 460' ' ' ARG . 1.8 mt -128.18 143.02 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -125.42 105.44 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.964 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 22.8 m -59.37 -34.74 72.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 8.1 t 59.1 81.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.41 -52.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.75 -30.87 71.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 946' ' ' ALA . . . . . 0.438 ' HB1' ' NZ ' ' A' ' 471' ' ' LYS . . . -59.88 -48.26 82.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.263 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.38 -35.05 79.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.73 -37.33 86.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.685 ' HB3' HD13 ' A' ' 474' ' ' LEU . 96.4 mtp -60.44 -36.86 79.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.729 ' HB2' ' HD2' ' A' ' 471' ' ' LYS . . . -67.11 -37.94 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.8 -44.81 90.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.87 80.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.815 HD23 ' CB ' ' A' ' 470' ' ' THR . 3.8 tp -68.04 -42.92 79.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.768 ' CA ' HG21 ' A' ' 470' ' ' THR . 15.2 pt-20 -74.97 -44.92 45.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.257 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.66 -30.87 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.45 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -69.96 -51.51 32.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.828 ' CD2' HD22 ' B' ' 960' ' ' LEU . 1.3 mt -69.97 -27.86 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.06 -31.79 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.035 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -67.87 -40.97 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.879 HD21 ' HA ' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -79.57 -34.07 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 961' ' ' MET . . . . . 0.428 ' HE1' ' NH1' ' A' ' 504' ' ' ARG . 97.5 mmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.631 ' O ' HG22 ' A' ' 452' ' ' VAL . 14.7 p -108.21 17.1 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.323 0.583 . . . . 0.0 111.417 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -73.61 149.94 41.73 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.675 HG11 HD21 ' A' ' 493' ' ' LEU . 21.2 t -96.67 128.09 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 459' ' ' VAL . 42.2 m -127.75 144.25 51.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.48 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -59.52 -40.17 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.476 ' H ' HG22 ' A' ' 455' ' ' THR . 47.6 t0 -61.71 -40.06 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.32 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.58 ' O ' HD12 ' A' ' 463' ' ' LEU . 37.0 t -64.44 -46.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.764 ' HG3' HD22 ' A' ' 515' ' ' LEU . 44.2 ttp180 -59.16 -32.96 70.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -56.2 -36.42 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.25 -44.03 72.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.064 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 459' ' ' VAL . 4.4 mp -68.3 -35.13 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.7 p -63.05 -28.69 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -78.84 -64.03 1.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 155.19 51.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 138.86 66.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.545 2.163 . . . . 0.0 112.277 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.503 ' SD ' HD23 ' A' ' 473' ' ' LEU . 15.5 ttt -143.06 141.31 31.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 17.4 p -82.49 160.53 22.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 41.5 p -59.87 -45.63 91.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -59.84 -40.04 87.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.7 -37.96 77.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.503 HD23 ' SD ' ' A' ' 468' ' ' MET . 81.3 mt -65.18 -41.7 94.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.617 HD13 ' HG2' ' B' ' 949' ' ' MET . 8.9 mt -71.45 -33.57 69.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -60.64 -38.35 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -60.82 -38.49 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -126.32 42.08 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.8 p -157.67 27.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -64.66 -45.09 88.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.948 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' LYS . . . . . 0.454 ' O ' HG21 ' A' ' 452' ' ' VAL . 13.1 tptm -175.77 100.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 29.2 p -155.08 -44.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 105.44 -22.76 31.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 484' ' ' LEU . 1.7 mm? -93.35 143.27 26.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.2 m -59.9 165.25 3.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.785 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.4 p -57.37 -33.61 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.98 -40.05 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.78 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -66.27 -40.66 90.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 26.2 m -60.33 -38.83 84.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 486' ' ' SER . 40.4 t -65.05 -30.06 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.53 -45.07 85.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.025 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 36.8 t -71.67 -51.19 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.675 HD21 HG11 ' A' ' 454' ' ' VAL . 4.0 mm? -62.31 -30.54 71.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.686 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -66.37 -44.65 82.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.299 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.52 -42.04 59.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.352 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 456' ' ' GLU . 6.1 tt -63.3 -44.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.882 HD13 HD11 ' B' ' 953' ' ' LEU . 6.2 mt -72.13 -31.99 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.743 ' O ' HD22 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -47.93 -51.88 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -79.3 -15.46 57.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.666 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.793 HD22 HD23 ' A' ' 497' ' ' LEU . 27.4 tp -45.8 -45.41 14.75 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.735 ' HA ' HD21 ' B' ' 960' ' ' LEU . 26.8 m-20 61.32 50.63 1.98 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.771 0.319 . . . . 0.0 110.991 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.712 ' HD2' HD22 ' B' ' 957' ' ' LEU . 72.0 Cg_endo -73.87 -167.71 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.58 2.186 . . . . 0.0 112.211 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -112.03 132.0 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.701 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -100.88 124.82 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -135.97 145.48 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 52.0 ttm -97.31 107.8 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.553 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 45.2 mt -121.41 125.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.25 40.64 27.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 60.31 35.78 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -140.95 153.07 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 6.0 tpt -85.24 120.23 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.553 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 80.3 m-70 -123.1 140.77 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 20.4 m-85 -103.69 132.6 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 47.3 m -133.34 154.69 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.764 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -137.68 138.38 39.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -98.92 127.06 44.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.94 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 93.6 p -124.73 155.73 38.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 70.7 m 59.45 -176.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 8.1 t 69.44 -65.33 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.11 -32.41 66.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -64.6 -34.04 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.08 -29.49 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.617 ' HG2' HD13 ' A' ' 474' ' ' LEU . 20.6 ttt -55.57 -44.21 76.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 474' ' ' LEU . . . -86.1 -42.04 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -56.72 -39.53 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.038 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.43 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.882 HD11 HD13 ' A' ' 497' ' ' LEU . 0.3 OUTLIER -65.57 -42.75 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.43 -41.56 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.09 69.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 956' ' ' GLU . . . . . 0.686 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 79.1 mm-40 -66.03 -44.83 83.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.861 HD21 ' O ' ' A' ' 497' ' ' LEU . 15.4 mt -84.09 -18.0 38.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -57.73 -43.99 85.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.724 0.297 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.88 -49.47 61.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.743 HD22 ' O ' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -65.03 -34.14 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.668 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 48.7 p30 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.853 0.359 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.856 HG11 HG22 ' A' ' 482' ' ' THR . 14.4 p -107.37 131.42 57.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -130.89 125.46 33.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.5 m -69.4 128.25 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.232 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 458' ' ' ALA . 14.9 t -142.42 153.46 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.545 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -60.01 -38.78 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.12 -35.82 76.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.734 ' H ' HG23 ' A' ' 455' ' ' THR . . . -59.93 -33.76 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.7 HG11 HD21 ' A' ' 497' ' ' LEU . 26.2 t -78.11 -40.98 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 464' ' ' THR . 26.1 ttm105 -60.55 -43.82 96.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.78 -43.33 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.088 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 21.3 m-85 -69.81 -41.82 74.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.684 ' CD1' HG12 ' A' ' 459' ' ' VAL . 17.0 mt -68.58 -40.14 80.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.031 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 460' ' ' ARG . 39.7 p -62.52 -29.74 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -69.76 -64.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.97 147.0 30.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.849 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.19 132.4 50.2 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.658 ' HG2' HD23 ' A' ' 463' ' ' LEU . 6.7 ptm -140.41 149.64 42.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 32.3 p -88.05 169.34 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.588 HG23 ' CE2' ' A' ' 513' ' ' PHE . 20.1 p -59.52 -42.18 91.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.509 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 28.5 mtpt -58.83 -38.44 78.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.57 -37.32 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.411 HD23 ' CE ' ' A' ' 468' ' ' MET . 70.3 mt -61.48 -45.1 95.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.777 HD13 ' HB3' ' B' ' 949' ' ' MET . 34.9 mt -69.94 -30.58 68.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.88 -35.58 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -60.75 -37.94 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.763 ' CE1' HG21 ' A' ' 452' ' ' VAL . 98.7 m-85 -139.73 55.86 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.735 ' HG3' HG22 ' A' ' 479' ' ' THR . 13.2 pt20 -64.17 -39.69 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.735 HG22 ' HG3' ' A' ' 478' ' ' GLN . 1.9 t -175.67 47.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -177.23 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -69.68 66.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.856 HG22 HG11 ' A' ' 452' ' ' VAL . 40.2 p -109.38 -23.3 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 101.45 -22.37 39.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.1 mm? -98.54 139.2 34.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.728 0.299 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.1 t -71.77 162.98 28.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.867 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.0 p -57.88 -35.84 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.38 -43.99 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.794 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.42 -40.38 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.441 ' O ' HD23 ' A' ' 493' ' ' LEU . 45.1 m -60.3 -42.55 95.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 486' ' ' SER . 40.4 t -63.11 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.33 -42.74 87.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 29.2 t -76.36 -48.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -64.03 -31.88 73.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -68.7 -42.47 77.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -73.79 -41.72 62.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' A' ' 456' ' ' GLU . 6.7 tt -65.86 -44.82 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.049 0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.869 ' O ' HD13 ' B' ' 957' ' ' LEU . 55.7 mt -69.95 -29.52 66.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.742 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.9 OUTLIER -55.15 -54.2 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 111.037 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 499' ' ' ARG . . . . . 0.466 ' HA ' HD13 ' B' ' 960' ' ' LEU . 94.2 mtt180 -77.28 -15.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.491 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.616 HD22 HD23 ' A' ' 497' ' ' LEU . 27.6 tp -46.06 -28.89 1.3 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.789 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.947 ' HA ' HD21 ' B' ' 960' ' ' LEU . 0.5 OUTLIER 43.54 51.65 7.67 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.565 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.951 ' HD2' HD11 ' B' ' 957' ' ' LEU . 87.4 Cg_endo -77.57 146.63 24.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 53.8 mp0 -65.86 136.14 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -90.34 131.44 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -132.91 132.24 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.7 mtp -88.8 105.94 18.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -121.26 127.47 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.55 40.12 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 58.68 38.66 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -147.03 153.43 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.1 mtt -77.86 124.25 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 60.6 m80 -127.53 150.02 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.588 ' CE2' HG23 ' A' ' 470' ' ' THR . 83.7 m-85 -107.21 134.66 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 30.4 t -147.96 141.04 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.63 138.29 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -117.61 94.87 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.906 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 3.4 m 58.91 77.84 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 2.2 m -174.44 37.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 23.1 m -59.45 -37.86 79.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.31 -35.55 75.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.66 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.22 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -58.12 -43.07 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.014 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -68.08 -36.78 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.777 ' HB3' HD13 ' A' ' 474' ' ' LEU . 95.1 mtp -61.3 -42.56 98.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.509 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -86.1 -46.69 10.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.256 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 951' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 86.0 tttt -58.03 -46.71 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.083 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.18 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 497' ' ' LEU . 9.4 tt -69.01 -46.8 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.76 -33.35 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 955' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -58.47 -27.53 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.44 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.4 -49.9 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.316 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.951 HD11 ' HD2' ' A' ' 502' ' ' PRO . 26.7 tp -71.75 -37.67 70.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.649 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 958' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' B' ' 959' ' ' ASP . 41.3 p-10 -57.78 -21.78 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.342 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 959' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' B' ' 958' ' ' ASN . 49.6 t0 -78.12 -55.29 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.947 HD21 ' HA ' ' A' ' 501' ' ' ASN . 0.0 OUTLIER -63.39 -33.83 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.723 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 961' ' ' MET . . . . . 0.642 ' N ' HD23 ' B' ' 960' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.786 0.327 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 481' ' ' LYS . 14.2 p -107.33 135.99 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -134.94 163.9 28.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 493' ' ' LEU . 22.0 t -105.82 129.13 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 457' ' ' ASP . 49.4 m -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.446 ' HB2' HD13 ' A' ' 496' ' ' ILE . 86.6 tt0 -60.36 -34.81 74.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.578 ' H ' HG22 ' A' ' 455' ' ' THR . 92.8 m-20 -58.31 -41.77 85.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -67.73 -37.87 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 455' ' ' THR . 22.0 t -66.63 -47.15 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.674 ' NE ' HD22 ' A' ' 515' ' ' LEU . 15.5 tpt180 -60.49 -42.26 95.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.23 -38.92 84.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.416 ' CE2' ' HE2' ' A' ' 476' ' ' LYS . 21.8 m-85 -67.77 -45.66 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.37 -35.64 81.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -32.93 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -77.02 -49.31 15.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 146.43 28.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.2 128.9 12.54 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.595 2.197 . . . . 0.0 112.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.1 mtm -131.67 154.52 48.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 511' ' ' MET . 13.7 p -81.23 162.99 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 9.5 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.907 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 56.2 mtpt -59.22 -41.66 89.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.8 -41.86 97.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.413 HD13 HD21 ' A' ' 497' ' ' LEU . 78.6 mt -60.38 -38.8 85.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.666 ' CD2' HD13 ' B' ' 953' ' ' LEU . 0.1 OUTLIER -73.9 -49.19 25.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -66.27 -31.86 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.416 ' HE2' ' CE2' ' A' ' 462' ' ' TYR . 51.4 tttt -57.07 -26.97 61.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.443 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.744 ' O ' HG23 ' A' ' 482' ' ' THR . 97.0 m-85 -119.0 -48.09 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.507 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.698 ' HA ' HG21 ' A' ' 489' ' ' THR . 25.7 tt0 -53.76 -46.65 71.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.469 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 17.2 p -97.8 25.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.21 -76.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 481' ' ' LYS . . . . . 0.438 ' HB2' HG11 ' A' ' 452' ' ' VAL . 14.0 mmmm -153.95 28.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 477' ' ' PHE . 71.9 p -75.46 124.09 26.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -76.84 -21.14 75.03 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.682 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -79.94 157.93 26.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -58.1 160.7 4.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.8 p -59.41 -37.15 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -67.88 -44.71 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 492' ' ' VAL . 92.2 mt-30 -65.13 -38.42 90.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.698 HG21 ' HA ' ' A' ' 478' ' ' GLN . 27.5 m -59.37 -41.38 89.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 486' ' ' SER . 40.2 t -64.45 -42.74 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -58.34 -42.98 88.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 488' ' ' GLN . 29.5 t -63.17 -47.35 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 497' ' ' LEU . 26.4 mt -70.08 -39.72 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.662 ' HB1' ' OE1' ' B' ' 956' ' ' GLU . . . -60.82 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.287 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -36.76 77.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.03 -49.54 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.824 ' O ' HD11 ' B' ' 957' ' ' LEU . 1.0 OUTLIER -66.52 -30.21 70.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.313 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.816 ' O ' HD11 ' B' ' 960' ' ' LEU . 8.7 ttmt -47.7 -46.94 30.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -79.4 -15.84 57.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.492 HD11 ' HD3' ' A' ' 460' ' ' ARG . 42.5 tp -51.22 -46.13 62.16 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.556 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.4 OUTLIER 57.06 49.04 3.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.969 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.79 ' HD2' HD12 ' B' ' 957' ' ' LEU . 74.1 Cg_endo -74.7 140.96 27.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.506 2.137 . . . . 0.0 112.338 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.9 143.46 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.782 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -95.5 126.4 40.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -132.23 144.1 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 59.3 ttp -103.53 104.27 14.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.49 131.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.8 38.57 21.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 57.19 35.62 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.89 148.9 41.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.764 ' O ' HG22 ' A' ' 469' ' ' THR . 94.3 mmm -78.89 114.81 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.54 148.19 44.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -107.32 128.27 54.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.3 t -149.45 147.94 28.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.674 HD22 ' NE ' ' A' ' 460' ' ' ARG . 0.0 OUTLIER -120.95 155.05 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.79 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -106.16 94.78 5.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.961 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 22.7 m -59.39 -36.88 76.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 86.3 p -62.25 -30.91 71.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 24.8 m -59.79 -33.48 71.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.14 -36.54 73.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.97 89.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.76 -34.98 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 948' ' ' GLU . . . . . 0.4 ' HA ' ' CG ' ' B' ' 951' ' ' LYS . 98.2 mt-10 -60.36 -35.24 75.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 97.1 mtp -67.14 -37.89 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.907 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -86.11 -53.04 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.688 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 951' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 0.1 OUTLIER -56.63 -33.14 66.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.474 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.83 -58.05 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.428 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.666 HD13 ' CD2' ' A' ' 474' ' ' LEU . 1.2 tt -70.94 -45.19 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.51 -33.51 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 955' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -60.94 -41.01 95.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 956' ' ' GLU . . . . . 0.662 ' OE1' ' HB1' ' A' ' 494' ' ' ALA . 90.4 mt-10 -69.91 -42.79 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.074 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.824 HD11 ' O ' ' A' ' 497' ' ' LEU . 4.5 mm? -70.0 -31.1 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -59.52 -23.17 62.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -67.72 -36.84 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.11 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.816 HD11 ' O ' ' A' ' 498' ' ' LYS . 1.4 mt -58.78 -35.46 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.407 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.46 136.75 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -107.25 155.18 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.551 HG22 ' CE1' ' A' ' 477' ' ' PHE . 27.4 t -108.44 135.47 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.1 t -133.04 154.56 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.07 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.71 -42.11 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.731 ' H ' HG23 ' A' ' 455' ' ' THR . . . -65.28 -41.05 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.19 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.41 -44.68 77.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.841 ' O ' HG23 ' A' ' 464' ' ' THR . 73.5 mtp85 -60.4 -39.85 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -57.83 -37.6 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.7 -39.52 91.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.46 HD21 HD11 ' A' ' 473' ' ' LEU . 88.3 mt -77.11 -43.28 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.841 HG23 ' O ' ' A' ' 460' ' ' ARG . 43.6 p -60.34 -34.17 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -79.88 -51.09 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -146.07 137.64 13.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.46 124.48 9.41 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.466 2.111 . . . . 0.0 112.287 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.457 ' SD ' HD23 ' A' ' 473' ' ' LEU . 11.4 ptp -135.4 156.64 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 511' ' ' MET . 29.2 p -81.06 170.26 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.989 HG23 ' CE2' ' A' ' 513' ' ' PHE . 4.7 p -58.48 -38.07 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -57.66 -45.05 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.49 -38.12 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.46 HD11 HD21 ' A' ' 463' ' ' LEU . 70.2 mt -66.18 -43.32 87.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 1.094 HD22 HD23 ' A' ' 493' ' ' LEU . 0.3 OUTLIER -70.94 -49.01 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -60.32 -39.78 88.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -38.84 85.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.791 ' O ' HG21 ' A' ' 489' ' ' THR . 0.2 OUTLIER -105.58 24.72 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.51 ' HG3' ' HE2' ' B' ' 949' ' ' MET . 9.8 tm0? -128.18 -61.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 66.7 p -60.22 -31.44 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -73.27 144.61 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -60.15 101.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.2 p -111.63 -24.0 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 107.31 -26.36 18.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 50.9 mt -100.46 149.69 23.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.7 m -58.8 158.06 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 490' ' ' VAL . 9.6 t -58.2 -38.9 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -72.13 -38.28 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.09 -40.59 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.791 HG21 ' O ' ' A' ' 477' ' ' PHE . 90.9 m -61.98 -44.04 97.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.67 HG22 HD11 ' A' ' 474' ' ' LEU . 34.9 t -62.68 -41.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -60.9 -50.22 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.55 -48.13 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.237 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 1.094 HD23 HD22 ' A' ' 474' ' ' LEU . 23.7 tp -59.68 -35.26 74.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.58 91.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.941 0.4 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.7 -41.35 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 2.3 tt -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.777 HD12 ' HG ' ' A' ' 493' ' ' LEU . 3.0 mt -74.57 -43.6 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.742 ' O ' HD21 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -47.4 -43.85 23.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.352 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.07 -15.96 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.205 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.972 HD21 HD11 ' A' ' 515' ' ' LEU . 2.3 tt -58.06 -44.43 87.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.916 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER 56.49 56.35 8.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.285 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.846 ' CG ' HD21 ' B' ' 957' ' ' LEU . 73.3 Cg_endo -76.37 151.87 33.95 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.192 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.07 135.89 57.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.776 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.59 119.22 38.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -132.84 144.84 50.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.6 mtp -90.57 112.3 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.457 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 44.4 mt -119.37 120.96 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.7 43.0 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 59.75 37.11 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.97 152.37 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.623 ' O ' HG22 ' A' ' 469' ' ' THR . 50.3 ttm -87.74 117.91 26.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.457 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 89.8 m-70 -127.3 146.8 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.989 ' CE2' HG23 ' A' ' 470' ' ' THR . 91.8 m-85 -106.01 132.34 52.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.0 p -127.98 152.97 47.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.972 HD11 HD21 ' A' ' 500' ' ' LEU . 15.1 mt -133.87 144.71 49.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -132.01 94.92 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.899 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 23.1 t -59.36 -39.13 82.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 54.0 m -128.43 133.09 48.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 21.7 m -62.84 -40.73 98.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.91 -30.11 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.2 96.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.14 -46.08 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -74.97 -27.15 60.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.51 ' HE2' ' HG3' ' A' ' 478' ' ' GLN . 40.7 ttm -56.99 -39.18 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.035 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.95 -44.97 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -58.5 -34.2 70.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.17 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.948 HD13 HD23 ' A' ' 474' ' ' LEU . 9.9 tp -71.21 -46.63 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.552 ' CA ' HG21 ' A' ' 470' ' ' THR . 0.9 OUTLIER -69.98 -32.02 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.27 90.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.34 -43.01 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.846 HD21 ' CG ' ' A' ' 502' ' ' PRO . 12.2 tp -69.0 -28.72 66.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -17.79 50.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.389 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.719 0.295 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 501' ' ' ASN . 1.7 mt -59.61 -39.53 84.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.965 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.796 0.332 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.839 HG11 HG22 ' A' ' 482' ' ' THR . 22.3 t -120.57 133.9 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -126.0 156.77 39.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.51 129.63 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.5 m -128.86 143.65 50.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.499 ' HB2' HD11 ' A' ' 496' ' ' ILE . 83.9 tt0 -59.24 -37.67 78.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.555 ' H ' HG22 ' A' ' 455' ' ' THR . 90.1 m-20 -62.4 -41.95 99.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.7 78.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.639 ' O ' HD12 ' A' ' 463' ' ' LEU . 38.8 t -65.33 -37.73 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 464' ' ' THR . 49.6 ttt180 -58.33 -35.67 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -58.31 -37.67 75.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -67.7 -41.65 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.024 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 459' ' ' VAL . 5.2 mp -71.64 -43.0 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 460' ' ' ARG . 71.1 p -62.17 -26.08 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.071 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -74.13 -63.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -146.02 154.36 50.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 0.401 ' CB ' ' CD1' ' A' ' 507' ' ' ILE . 41.6 Cg_exo -56.87 133.6 59.05 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.583 2.189 . . . . 0.0 112.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -145.33 144.55 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 511' ' ' MET . 21.3 p -85.07 168.06 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.463 HG23 ' CE2' ' A' ' 513' ' ' PHE . 18.6 p -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.403 ' HG2' ' CB ' ' B' ' 950' ' ' ALA . 98.6 mttt -59.8 -36.73 77.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.67 -34.05 75.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 56.8 mt -78.02 -34.97 50.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.33 -40.38 36.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -29.83 63.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.159 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -62.63 -36.66 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.026 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.677 ' CD2' HG21 ' A' ' 482' ' ' THR . 4.3 m-85 -127.18 30.44 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -69.34 -47.33 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 63.8 p -139.14 27.72 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -97.44 147.88 23.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -64.84 109.78 2.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.839 HG22 HG11 ' A' ' 452' ' ' VAL . 2.2 p -150.63 23.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 81.23 -58.0 4.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 40.0 mt -81.31 142.78 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 3.1 p -81.2 179.32 7.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 490' ' ' VAL . 14.8 m -58.32 -40.71 82.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -46.21 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.549 ' O ' HG23 ' A' ' 492' ' ' VAL . 99.6 mm-40 -66.26 -35.17 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.595 ' O ' HD13 ' A' ' 493' ' ' LEU . 48.6 m -59.25 -46.02 89.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 486' ' ' SER . 33.9 t -64.42 -41.32 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -59.44 -44.82 92.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 488' ' ' GLN . 36.5 t -70.88 -49.79 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.205 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.623 ' HB3' HD11 ' B' ' 953' ' ' LEU . 8.6 mp -64.25 -35.5 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.77 88.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -75.17 -43.6 51.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 456' ' ' GLU . 5.2 tt -64.8 -44.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.892 ' O ' HD11 ' B' ' 957' ' ' LEU . 73.2 mt -71.63 -26.92 62.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.051 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' B' ' 957' ' ' LEU . 0.0 OUTLIER -47.43 -53.62 13.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.904 0.383 . . . . 0.0 111.366 -179.652 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -79.57 -15.23 58.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.687 HD22 HD23 ' A' ' 497' ' ' LEU . 44.6 tp -45.51 -55.15 6.53 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.486 ' HA ' HD23 ' B' ' 960' ' ' LEU . 54.4 t30 60.88 49.71 1.89 Allowed Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 110.871 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.66 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.5 Cg_endo -75.43 166.26 29.03 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.626 2.217 . . . . 0.0 112.37 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -90.98 141.52 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -108.07 130.94 55.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -131.7 144.49 51.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.0 mtp -85.36 105.14 15.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.582 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 47.2 mt -118.1 123.54 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.78 41.83 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 59.19 33.52 22.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -142.86 153.16 42.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.563 ' O ' HG22 ' A' ' 469' ' ' THR . 59.9 ttp -84.77 126.15 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 80.2 m-70 -128.67 151.78 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.463 ' CE2' HG23 ' A' ' 470' ' ' THR . 24.1 m-85 -105.78 127.39 53.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 7.8 t -154.62 142.56 20.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -130.96 156.46 45.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.626 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -102.91 121.09 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.937 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 23.0 t 59.28 91.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.948 0.404 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 88.0 p -123.54 154.81 38.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.79 -76.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.94 -36.63 84.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.96 -43.37 95.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.64 -39.86 88.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.437 ' HE1' ' HB3' ' A' ' 486' ' ' SER . 98.2 mtp -62.0 -40.02 94.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.403 ' CB ' ' HG2' ' A' ' 471' ' ' LYS . . . -84.5 -28.36 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -56.65 -39.77 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -81.53 -42.26 20.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.764 HD21 HD13 ' A' ' 497' ' ' LEU . 9.5 tt -63.11 -41.96 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.449 ' HA ' HG21 ' A' ' 470' ' ' THR . 0.9 OUTLIER -68.88 -36.01 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.02 -30.96 72.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.55 -37.15 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.892 HD11 ' O ' ' A' ' 497' ' ' LEU . 5.2 mp -101.98 -9.96 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.495 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -57.82 -34.43 69.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.821 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -104.39 -21.63 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.155 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 501' ' ' ASN . 7.0 tp -54.13 -34.02 59.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.1 ttp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.895 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.764 0.316 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.469 ' HB ' HG22 ' A' ' 482' ' ' THR . 21.5 t -117.93 130.09 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' GLN . . . . . 0.574 ' OE1' HG23 ' A' ' 455' ' ' THR . 1.3 tm0? -113.9 116.24 28.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.41 ' H ' HG22 ' A' ' 454' ' ' VAL . 4.1 m -68.62 124.18 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.818 ' O ' HG23 ' A' ' 459' ' ' VAL . 23.4 p -131.38 152.76 50.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.648 ' N ' HD11 ' A' ' 496' ' ' ILE . 34.8 tt0 -65.95 -40.01 90.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -59.78 -42.39 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.02 78.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 455' ' ' THR . 39.6 t -61.4 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -61.52 -32.51 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.07 -39.57 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.433 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 95.3 m-85 -70.64 -44.27 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.719 HD22 HD12 ' A' ' 515' ' ' LEU . 4.9 mp -68.96 -34.79 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -60.68 -27.49 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -72.82 -59.63 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -146.07 158.32 48.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.8 136.81 73.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.504 2.136 . . . . 0.0 112.208 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.427 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 87.8 mtp -136.19 150.27 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.572 ' O ' HD12 ' A' ' 473' ' ' LEU . 28.4 p -98.17 162.85 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.906 HG23 ' CE1' ' A' ' 513' ' ' PHE . 39.4 p -55.25 -45.3 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -62.21 -38.14 88.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ASP . . . . . 0.427 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 52.5 t0 -60.97 -39.85 91.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 469' ' ' THR . 4.5 mp -64.95 -40.82 95.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 474' ' ' LEU . 0.4 OUTLIER -66.62 -42.29 87.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -62.19 -30.3 70.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 477' ' ' PHE . 49.0 tptt -56.81 -31.03 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 476' ' ' LYS . 98.3 m-85 -148.0 42.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -73.63 -69.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 59.3 p -114.25 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.236 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -90.65 147.98 22.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -69.4 101.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.469 HG22 ' HB ' ' A' ' 452' ' ' VAL . 72.4 p -130.17 6.71 4.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.319 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 94.67 -27.26 14.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 55.3 mt -108.08 145.47 34.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.347 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 m -64.02 160.3 18.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 4.6 t -58.62 -38.59 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.84 -33.8 75.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.5 ' O ' HD13 ' A' ' 493' ' ' LEU . 47.7 m -58.94 -40.86 85.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.53 HG22 HD21 ' A' ' 474' ' ' LEU . 28.6 t -61.45 -41.02 88.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -60.77 -46.25 91.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.6 t -69.17 -50.09 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 489' ' ' THR . 11.0 mp -62.7 -31.1 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.737 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -65.86 -41.19 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -77.46 -43.49 32.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.648 HD11 ' N ' ' A' ' 456' ' ' GLU . 5.8 tt -61.55 -44.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.071 0.462 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.856 HD13 HD21 ' B' ' 953' ' ' LEU . 3.1 mt -61.2 -40.77 95.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.63 ' O ' HD12 ' B' ' 960' ' ' LEU . 1.3 mtpt -47.66 -46.88 29.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 0.0 111.414 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -79.92 -15.76 56.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.677 0.275 . . . . 0.0 111.368 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 515' ' ' LEU . 30.5 tp -47.93 -36.48 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.869 ' HA ' HD11 ' B' ' 960' ' ' LEU . 3.5 m120 48.87 47.63 5.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.361 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.806 ' HG3' HD23 ' A' ' 500' ' ' LEU . 92.0 Cg_endo -79.15 176.97 9.18 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.342 2.028 . . . . 0.0 112.461 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -108.28 142.3 38.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -96.7 126.19 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.988 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -133.39 136.98 45.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.4 ttm -95.82 111.03 23.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 41.4 mt -119.27 119.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 5.6 m120 57.69 43.32 22.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 61.4 36.86 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -138.88 151.69 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.558 ' O ' HG22 ' A' ' 469' ' ' THR . 63.6 mtt -85.35 125.42 32.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -132.28 146.25 51.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.906 ' CE1' HG23 ' A' ' 470' ' ' THR . 81.4 m-85 -111.17 138.96 46.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.8 p -121.46 156.38 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 500' ' ' LEU . 0.3 OUTLIER -146.89 141.61 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -131.99 119.34 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.923 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 4.0 m 59.27 107.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 943' ' ' SER . . . . . 0.475 ' HB2' ' HB3' ' B' ' 946' ' ' ALA . 99.9 p -120.46 152.12 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.3 m -120.49 -74.86 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.17 -36.03 82.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 946' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' B' ' 943' ' ' SER . . . -63.55 -43.23 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.46 -40.03 89.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.21 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.9 -39.33 88.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.66 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -58.45 -42.95 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.48 88.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.856 HD21 HD13 ' A' ' 497' ' ' LEU . 10.4 tt -63.32 -37.76 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.632 ' HG2' HG21 ' A' ' 470' ' ' THR . 97.7 mt-10 -62.75 -44.49 96.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.383 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 956' ' ' GLU . . . . . 0.737 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 75.2 mm-40 -63.91 -39.58 94.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 1.062 HD11 HD13 ' B' ' 960' ' ' LEU . 9.4 tp -101.03 -9.63 21.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.83 -41.56 67.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -68.41 -33.87 75.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 1.062 HD13 HD11 ' B' ' 957' ' ' LEU . 9.0 tt -59.41 -33.54 71.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 961' ' ' MET . . . . . 0.529 ' OXT' HD23 ' B' ' 960' ' ' LEU . 3.9 tpp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 46.6 p30 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.7 t -111.88 133.9 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -120.94 156.6 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.97 133.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 41.3 p -126.21 154.97 42.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.869 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.1 tt0 -65.77 -34.99 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -58.15 -35.48 71.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.67 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.461 HG13 HD22 ' A' ' 473' ' ' LEU . 29.1 t -61.14 -41.67 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.694 ' HG3' HD13 ' A' ' 515' ' ' LEU . 56.0 ttm-85 -58.9 -39.65 82.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.82 -35.72 79.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -66.73 -44.74 80.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.063 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 515' ' ' LEU . 89.6 mt -66.2 -37.01 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -30.89 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -82.62 -56.55 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -146.05 146.78 29.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -55.93 143.28 82.86 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.564 2.176 . . . . 0.0 112.25 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 92.0 mmm -137.27 166.05 24.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 18.9 p -114.8 166.55 11.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.592 ' HB ' HD22 ' B' ' 953' ' ' LEU . 20.2 p -59.27 -46.4 88.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -60.71 -36.84 79.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.36 -35.23 78.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 497' ' ' LEU . 73.5 mt -58.44 -45.14 89.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.792 HD22 ' HE1' ' B' ' 949' ' ' MET . 88.2 mt -67.61 -34.91 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -60.28 -37.93 81.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.5 -36.39 75.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.71 66.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 479' ' ' THR . 48.8 tt0 -66.61 -50.42 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.7 OUTLIER -171.07 62.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.08 -74.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -154.39 28.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -65.65 -29.52 70.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.86 -27.81 18.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.56 142.18 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.822 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 46.0 m -62.29 166.22 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 490' ' ' VAL . 30.3 m -56.63 -39.49 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.0 -42.66 94.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.95 -37.69 84.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 33.7 m -59.84 -36.9 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 486' ' ' SER . 40.9 t -60.86 -36.52 72.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -58.75 -46.3 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.08 -46.13 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.779 HD12 HD11 ' B' ' 953' ' ' LEU . 0.2 OUTLIER -64.72 -30.15 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.99 -37.57 69.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -77.45 -42.41 36.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.869 HD11 ' N ' ' A' ' 456' ' ' GLU . 5.9 tt -59.89 -44.57 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.839 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' B' ' 953' ' ' LEU . 9.7 mt -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.958 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' B' ' 960' ' ' LEU . 16.3 tptt -47.71 -45.19 28.35 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 120.892 0.377 . . . . 0.0 111.242 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -80.13 -15.99 55.9 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.389 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.592 ' CD2' HD23 ' A' ' 497' ' ' LEU . 13.6 tp -56.08 -55.0 38.24 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.9 ' HA ' HD21 ' B' ' 960' ' ' LEU . 2.3 t-20 61.41 53.29 2.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.62 ' CD ' HD21 ' B' ' 957' ' ' LEU . 15.2 Cg_exo -68.12 176.01 5.96 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.407 2.071 . . . . 0.0 112.289 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -111.71 130.44 55.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -68.42 138.59 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' LYS . . . . . 0.798 ' HD2' HD11 ' A' ' 507' ' ' ILE . 24.8 ttmt -151.01 122.12 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.794 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.6 mtp -85.55 107.48 17.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.798 HD11 ' HD2' ' A' ' 505' ' ' LYS . 46.1 mt -125.53 126.84 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 58.15 41.21 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 58.34 38.79 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.576 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 6.9 ttpm? -145.73 155.18 42.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.7 ttp -82.67 128.54 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.576 ' CE1' ' HE2' ' A' ' 510' ' ' LYS . 89.9 m-70 -134.34 157.57 46.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -111.76 138.17 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.9 p -131.63 147.78 52.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.694 HD13 ' HG3' ' A' ' 460' ' ' ARG . 19.6 mt -122.16 145.4 48.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -125.22 94.81 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.403 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 99.0 p -119.95 150.55 40.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 33.7 t 56.76 25.39 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.4 m -92.71 -40.0 10.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.53 -37.94 85.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.3 63.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.07 -43.05 99.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.45 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.792 ' HE1' HD22 ' A' ' 474' ' ' LEU . 15.9 ttt -60.47 -41.96 95.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.97 -29.43 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -58.01 -48.03 81.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 952' ' ' ALA . . . . . 0.411 ' HB3' HG11 ' A' ' 490' ' ' VAL . . . -67.74 -40.34 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.779 HD11 HD12 ' A' ' 493' ' ' LEU . 7.9 tt -61.41 -55.72 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.483 ' CB ' HG21 ' A' ' 470' ' ' THR . 34.1 tt0 -63.49 -34.78 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.58 -47.59 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.192 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.895 HD11 HD13 ' B' ' 960' ' ' LEU . 10.5 tp -84.49 -9.68 58.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.46 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -53.85 -47.89 70.53 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.9 -32.43 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.524 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.9 HD21 ' HA ' ' A' ' 501' ' ' ASN . 1.2 tt -63.8 -34.92 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.754 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.897 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.4 t -116.81 135.52 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -116.96 158.42 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.41 HG11 HD21 ' A' ' 493' ' ' LEU . 21.9 t -107.9 133.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 459' ' ' VAL . 51.7 m -123.97 135.93 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.436 ' HG3' HG23 ' A' ' 496' ' ' ILE . 84.4 tt0 -62.11 -38.35 88.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 455' ' ' THR . 92.7 m-20 -59.95 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.37 94.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 455' ' ' THR . 39.0 t -64.23 -41.68 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 464' ' ' THR . 14.9 ttp-105 -59.13 -38.1 78.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.12 -42.65 86.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -68.02 -44.63 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.648 HD21 HD21 ' A' ' 473' ' ' LEU . 39.1 mt -68.9 -37.18 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 460' ' ' ARG . 17.9 p -67.69 -32.16 72.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -53.07 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.02 138.06 13.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.47 131.75 19.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.525 2.15 . . . . 0.0 112.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.685 ' SD ' HD23 ' A' ' 473' ' ' LEU . 8.2 ptp -132.52 156.9 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.656 HG22 ' CD2' ' A' ' 512' ' ' HIS . 21.5 p -75.17 165.5 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.606 HG21 ' HG2' ' B' ' 954' ' ' GLU . 32.1 p -58.33 -43.89 88.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.71 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 91.8 mttt -57.51 -40.65 79.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -63.13 -34.52 77.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.705 HD13 HD21 ' A' ' 497' ' ' LEU . 55.9 mt -60.09 -43.5 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.64 -47.58 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' LYS . . . . . 0.577 ' HA ' HG23 ' A' ' 479' ' ' THR . 37.5 tttp -55.86 -35.42 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.419 ' HG2' ' CE2' ' A' ' 477' ' ' PHE . 3.5 ttmm -64.89 -33.0 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.419 ' CE2' ' HG2' ' A' ' 476' ' ' LYS . 76.9 m-85 -146.24 71.16 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.135 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -177.24 -59.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 475' ' ' LYS . 60.0 p -60.18 -30.35 69.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -77.24 163.22 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -63.6 82.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 38.8 p -94.77 -28.34 15.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 102.57 -26.65 23.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -94.07 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.4 m -60.85 151.78 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 490' ' ' VAL . 59.5 p -61.95 -34.88 76.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -65.38 -44.06 88.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 492' ' ' VAL . 99.6 mm-40 -65.43 -36.78 84.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.492 ' O ' HD23 ' A' ' 493' ' ' LEU . 38.5 m -60.05 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 486' ' ' SER . 38.4 t -62.76 -44.0 99.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.23 -45.23 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 488' ' ' GLN . 37.3 t -71.18 -46.8 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 489' ' ' THR . 4.1 mm? -65.75 -35.3 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.68 -41.76 98.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.202 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.49 -38.07 86.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.2 OUTLIER -77.99 -51.13 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.991 HD13 HD21 ' B' ' 953' ' ' LEU . 8.6 mt -59.08 -57.01 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.748 ' O ' HD11 ' B' ' 960' ' ' LEU . 0.0 OUTLIER -48.06 -32.36 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.061 -179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 499' ' ' ARG . . . . . 0.498 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 38.4 tpt85 -79.76 -25.91 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.468 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 497' ' ' LEU . 4.9 mt -55.91 -43.82 77.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.955 ' HA ' HD13 ' B' ' 960' ' ' LEU . 7.2 t-20 58.18 51.73 4.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.813 0.34 . . . . 0.0 110.716 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.761 ' HD2' HD22 ' B' ' 957' ' ' LEU . 60.3 Cg_endo -71.96 153.17 58.05 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.696 2.264 . . . . 0.0 112.43 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.98 143.26 55.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.51 117.5 31.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -134.11 140.84 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.5 mtp -100.31 115.52 30.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.3 mt -121.19 125.01 73.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.76 42.13 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 58.97 39.67 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.09 148.24 36.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -76.97 119.12 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.656 ' CD2' HG22 ' A' ' 469' ' ' THR . 47.5 m80 -129.52 144.38 51.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 98.1 m-85 -107.94 132.6 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.7 m -123.72 146.87 47.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.593 HD12 HD13 ' A' ' 463' ' ' LEU . 6.1 mt -131.78 141.07 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -124.96 95.01 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.947 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 15.4 m 60.64 54.34 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 943' ' ' SER . . . . . 0.669 ' HB3' ' HB3' ' B' ' 946' ' ' ALA . 36.7 t -112.56 123.05 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 85.9 p -68.7 -36.45 78.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -75.48 -38.74 59.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 946' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' B' ' 943' ' ' SER . . . -65.66 -37.94 87.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.76 -35.94 77.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.67 -39.44 84.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 66.1 mtm -63.62 -37.38 87.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.71 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -67.71 -43.02 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -59.1 -41.04 87.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.99 63.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.991 HD21 HD13 ' A' ' 497' ' ' LEU . 7.4 tt -66.42 -40.35 89.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.606 ' HG2' HG21 ' A' ' 470' ' ' THR . 46.0 mt-10 -66.07 -39.72 90.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.75 71.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -64.5 -49.58 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.828 HD23 HD11 ' B' ' 960' ' ' LEU . 4.2 mt -69.8 -28.5 65.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.12 -16.36 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.394 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.81 -32.77 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 111.092 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.955 HD13 ' HA ' ' A' ' 501' ' ' ASN . 1.7 mt -58.88 -34.81 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.8 t -116.56 132.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -121.13 150.57 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 459' ' ' VAL . 48.8 m -129.15 140.85 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.489 ' HB2' HD13 ' A' ' 496' ' ' ILE . 84.4 tt0 -60.18 -38.32 82.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.514 ' H ' HG22 ' A' ' 455' ' ' THR . 49.7 t0 -60.27 -40.95 92.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.31 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.651 ' O ' HD12 ' A' ' 463' ' ' LEU . 39.7 t -61.46 -42.86 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.66 -36.0 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -58.74 -40.27 83.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -68.46 -44.47 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 459' ' ' VAL . 1.0 OUTLIER -65.94 -35.23 80.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.8 p -68.49 -30.03 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -79.34 -60.44 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -145.98 141.38 16.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 0.414 ' HG3' HD11 ' A' ' 507' ' ' ILE . 35.9 Cg_endo -65.04 139.02 59.4 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 76.3 mtp -138.35 152.94 48.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.871 HG23 ' CD2' ' A' ' 512' ' ' HIS . 7.0 p -81.21 162.82 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.722 HG21 ' HB3' ' B' ' 954' ' ' GLU . 37.2 p -57.07 -44.37 83.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.423 ' CB ' ' HB2' ' B' ' 950' ' ' ALA . 37.1 ttmt -58.21 -45.78 87.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.72 -37.05 82.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.01 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.678 HD13 HD11 ' A' ' 497' ' ' LEU . 86.8 mt -65.04 -43.66 91.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 1.04 HD21 HG22 ' A' ' 490' ' ' VAL . 28.2 tp -65.93 -50.54 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.998 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -32.03 68.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -61.23 -37.14 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.757 ' O ' HG21 ' A' ' 482' ' ' THR . 98.7 m-85 -118.44 25.24 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.227 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.521 ' HA ' HG21 ' A' ' 489' ' ' THR . 5.6 tm0? -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 69.0 p -93.97 20.19 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.253 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -95.58 -69.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.49 37.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.757 HG21 ' O ' ' A' ' 477' ' ' PHE . 82.3 p -77.74 129.33 35.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -60.94 -22.71 60.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.7 mm? -80.01 148.81 30.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 29.6 t -62.11 164.58 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.1 p -58.98 -39.69 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.07 -43.2 71.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -66.1 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.549 HG22 HD13 ' A' ' 493' ' ' LEU . 24.3 m -59.45 -41.47 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 1.04 HG22 HD21 ' A' ' 474' ' ' LEU . 25.4 t -62.88 -42.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -57.7 -39.16 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.8 t -73.41 -54.71 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.285 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 497' ' ' LEU . 2.2 mp -62.94 -45.93 90.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.442 ' HB1' ' CD ' ' B' ' 956' ' ' GLU . . . -56.85 -40.18 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.416 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -59.9 -42.04 92.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 456' ' ' GLU . 0.8 OUTLIER -78.26 -42.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.34 179.553 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.94 HD13 HD12 ' A' ' 500' ' ' LEU . 4.0 mm? -56.52 -39.94 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.271 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.86 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.0 OUTLIER -65.35 -38.82 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.041 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 499' ' ' ARG . . . . . 0.543 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 76.1 ttt-85 -80.08 -15.94 56.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.571 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.94 HD12 HD13 ' A' ' 497' ' ' LEU . 14.1 mt -53.79 -37.73 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.969 ' ND2' HD11 ' B' ' 960' ' ' LEU . 8.6 m-80 59.15 46.16 1.41 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.692 0.282 . . . . 0.0 110.738 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 73.4 Cg_endo -73.65 -178.07 3.51 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.49 2.127 . . . . 0.0 112.392 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.41 160.3 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -107.03 127.41 53.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -132.82 143.75 49.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.17 107.05 18.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.414 HD11 ' HG3' ' A' ' 467' ' ' PRO . 43.5 mt -122.27 125.25 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.7 m120 57.96 41.81 23.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 58.87 35.91 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -140.55 153.51 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.729 ' O ' HG22 ' A' ' 469' ' ' THR . 64.9 mtt -85.13 122.44 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.871 ' CD2' HG23 ' A' ' 469' ' ' THR . 66.6 m80 -127.73 162.45 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.517 ' CE2' HG23 ' A' ' 470' ' ' THR . 42.9 m-85 -112.22 142.1 45.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.2 t -144.08 143.49 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.37 123.54 28.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -107.39 130.32 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.849 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 32.2 t -120.24 142.8 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 49.0 m 59.07 41.67 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 23.7 m -58.93 -36.23 74.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.07 -35.29 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.17 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.84 -40.69 89.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.96 -33.72 73.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.678 ' HB3' HD23 ' A' ' 474' ' ' LEU . 99.1 mtp -59.4 -36.83 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 471' ' ' LYS . . . -86.07 -41.04 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.314 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 951' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 57.5 mtmt -57.25 -36.77 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.165 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.43 75.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 0.667 HD21 ' HG ' ' A' ' 497' ' ' LEU . 8.3 tt -66.2 -44.48 83.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.164 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.722 ' HB3' HG21 ' A' ' 470' ' ' THR . 13.7 pt-20 -74.77 -29.34 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 955' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -59.73 -34.7 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.324 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 956' ' ' GLU . . . . . 0.442 ' CD ' ' HB1' ' A' ' 494' ' ' ALA . 78.6 mt-10 -73.53 -49.29 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.19 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.785 ' CD2' HD22 ' B' ' 960' ' ' LEU . 5.8 mt -60.43 -26.28 66.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.49 -40.38 78.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -67.87 -48.15 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.969 HD11 ' ND2' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -68.44 -33.49 74.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.53 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.8 ttp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.919 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 45.5 p30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.774 0.321 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.92 141.59 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -127.76 169.97 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.92 138.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 457' ' ' ASP . 48.3 m -122.46 144.42 49.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -36.93 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.557 ' H ' HG22 ' A' ' 455' ' ' THR . 21.5 t70 -59.29 -37.3 77.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.723 HG11 HD21 ' A' ' 497' ' ' LEU . 33.5 t -63.4 -42.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -59.88 -35.63 75.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.32 -39.7 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.47 -42.11 75.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.51 -35.96 81.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -30.38 71.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -75.47 -65.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 467' ' ' PRO . 0.0 OUTLIER -146.1 140.42 15.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.872 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 467' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 466' ' ' LYS . 38.0 Cg_exo -57.04 130.85 41.89 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.453 2.102 . . . . 0.0 112.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.746 ' HE3' HD23 ' A' ' 473' ' ' LEU . 46.0 mtm -138.84 148.68 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 472' ' ' ASP . 6.2 t -83.55 164.88 19.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.641 HG21 ' HA ' ' B' ' 954' ' ' GLU . 36.7 p -52.71 -44.84 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' B' ' 950' ' ' ALA . 45.4 tttm -58.73 -47.61 84.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ASP . . . . . 0.537 ' H ' HG23 ' A' ' 469' ' ' THR . 96.0 m-20 -61.65 -36.96 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.013 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.746 HD23 ' HE3' ' A' ' 468' ' ' MET . 88.7 mt -61.63 -41.97 98.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.706 HD22 ' CE ' ' B' ' 949' ' ' MET . 10.2 mt -68.62 -35.35 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -60.57 -41.28 94.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -63.01 -35.3 79.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CE2' HG22 ' A' ' 482' ' ' THR . 0.3 OUTLIER -132.44 55.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.781 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.401 ' O ' ' HB ' ' A' ' 479' ' ' THR . 31.8 tt0 -60.8 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 478' ' ' GLN . 3.9 t 178.89 39.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -109.13 23.03 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.906 HG22 ' CE2' ' A' ' 477' ' ' PHE . 71.3 p -77.16 -38.25 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 95.62 -27.41 15.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.3 mt -108.12 155.41 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.2 t -59.5 165.67 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 490' ' ' VAL . 89.6 p -59.18 -31.65 69.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.76 -46.08 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.791 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.46 -37.28 80.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 493' ' ' LEU . 24.5 m -59.59 -40.81 88.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 486' ' ' SER . 38.9 t -67.29 -33.8 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.98 -58.1 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 495' ' ' GLN . 26.3 t -65.42 -28.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.182 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.699 ' HB3' HD11 ' B' ' 953' ' ' LEU . 16.5 mt -75.18 -38.47 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.586 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 494' ' ' ALA . . . . . 0.775 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -62.91 -43.26 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 492' ' ' VAL . 0.4 OUTLIER -72.55 -46.69 53.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.02 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.4 tt -63.01 -44.55 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 1.056 HD13 HD21 ' B' ' 953' ' ' LEU . 12.2 mt -70.39 -26.99 63.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 498' ' ' LYS . . . . . 0.726 ' O ' HD13 ' B' ' 960' ' ' LEU . 14.5 tptp -56.47 -51.06 69.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -79.17 -15.03 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.611 HD22 HD23 ' A' ' 497' ' ' LEU . 39.7 tp -45.33 -41.41 8.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.621 ' HA ' HD21 ' B' ' 960' ' ' LEU . 11.0 t-20 56.44 49.19 4.02 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.774 0.321 . . . . 0.0 110.965 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.726 ' HG3' HD21 ' B' ' 957' ' ' LEU . 71.7 Cg_endo -75.66 -168.31 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.692 2.261 . . . . 0.0 112.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -108.53 161.64 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.588 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -118.83 131.5 56.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -139.88 139.39 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.8 ptp -92.06 99.73 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 40.0 mt -116.82 128.32 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.98 42.3 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 59.26 31.09 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -141.71 151.31 42.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 9.9 mtt -84.66 119.41 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -115.77 166.5 11.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.515 ' CE2' HG23 ' A' ' 470' ' ' THR . 29.9 m-85 -110.77 139.18 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.9 p -140.79 155.17 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.3 110.19 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -92.86 132.68 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.943 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 45.6 m -62.39 153.62 30.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.334 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 91.5 p -137.43 157.84 45.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 17.7 m -150.44 -58.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -74.54 -29.93 61.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.93 96.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.17 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.87 -30.95 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 949' ' ' MET . . . . . 0.706 ' CE ' HD22 ' A' ' 474' ' ' LEU . 22.9 ttt -58.37 -38.56 77.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 950' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 471' ' ' LYS . . . -86.11 -46.63 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.408 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -57.22 -39.37 75.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.94 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 953' ' ' LEU . . . . . 1.056 HD21 HD13 ' A' ' 497' ' ' LEU . 9.3 tt -67.32 -40.4 85.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 954' ' ' GLU . . . . . 0.641 ' HA ' HG21 ' A' ' 470' ' ' THR . 71.2 tt0 -63.21 -45.35 92.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -56.79 -28.35 61.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.44 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 956' ' ' GLU . . . . . 0.775 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.6 mm-40 -73.11 -63.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.111 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 957' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 497' ' ' LEU . 8.2 tp -63.6 -29.04 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.185 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.24 -31.16 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -67.87 -37.65 82.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 960' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 498' ' ' LYS . 0.4 OUTLIER -72.61 -30.42 64.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.437 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.8 0.333 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 493' ' ' LEU . 21.9 t -111.03 130.8 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.74 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.2 t -138.71 156.89 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.73 -39.18 87.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.89 -38.55 82.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.74 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.91 -45.61 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.56 HG11 HD21 ' A' ' 497' ' ' LEU . 38.7 t -64.6 -46.42 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.1 -32.52 73.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -42.69 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.3 m-85 -66.07 -44.99 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.463 ' HB2' HD12 ' A' ' 515' ' ' LEU . 74.6 mt -65.31 -36.38 83.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.4 p -67.99 -33.76 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.13 -52.21 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.11 138.78 13.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.68 135.36 48.45 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.483 2.122 . . . . 0.0 112.17 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 82.6 mtp -136.71 167.27 21.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.3 p -105.62 164.77 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.922 HG23 ' CE2' ' A' ' 513' ' ' PHE . 23.2 p -58.16 -43.01 87.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 -40.83 96.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -67.62 -40.34 84.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.58 -44.64 93.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.74 ' O ' HD23 ' A' ' 474' ' ' LEU . 5.7 tt -66.34 -36.65 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.8 -30.27 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -57.21 -38.95 74.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.184 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.11 30.39 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.077 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.707 ' O ' HG23 ' A' ' 479' ' ' THR . 48.9 tt0 -63.91 -49.07 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.8 OUTLIER -169.75 33.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -64.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -130.78 -44.44 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.596 ' HB ' HD23 ' A' ' 484' ' ' LEU . 26.9 p -56.15 118.74 4.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . 0.419 ' C ' HD22 ' A' ' 484' ' ' LEU . . . -84.64 54.94 4.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.58 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.596 HD23 ' HB ' ' A' ' 482' ' ' THR . 3.0 mm? -104.42 145.07 30.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 t -59.81 153.63 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 490' ' ' VAL . 20.5 m -57.9 -41.8 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -71.07 -39.92 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.843 ' O ' HG23 ' A' ' 492' ' ' VAL . 66.0 mt-30 -64.98 -42.44 94.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 6.5 m -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 486' ' ' SER . 25.6 t -72.99 -39.7 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.5 -44.05 93.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 488' ' ' GLN . 30.1 t -63.56 -53.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.176 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.735 HD21 HG11 ' A' ' 454' ' ' VAL . 4.0 mm? -67.79 -30.81 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.578 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -64.99 -47.82 76.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.222 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.75 -38.12 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.08 -50.13 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.962 HD12 HD11 ' B' ' 953' ' ' LEU . 52.5 mt -64.85 -49.18 71.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.304 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.757 ' O ' HD23 ' B' ' 960' ' ' LEU . 4.4 tptm -47.66 -40.36 19.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 111.279 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -80.32 -15.84 55.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 0.0 111.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.769 HD23 ' HG3' ' A' ' 502' ' ' PRO . 28.4 tp -56.35 -37.26 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.732 ' HA ' HD22 ' B' ' 960' ' ' LEU . 8.9 p30 44.65 49.17 5.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.707 0.289 . . . . 0.0 111.33 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.769 ' HG3' HD23 ' A' ' 500' ' ' LEU . 71.6 Cg_endo -75.83 -168.39 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.43 2.087 . . . . 0.0 112.405 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -109.06 155.96 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -114.0 137.55 51.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -130.95 145.96 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.7 mtm -87.94 101.4 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.6 mt -118.42 121.72 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 25.3 t30 57.09 42.68 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.33 36.43 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.81 156.12 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 23.7 ptm -87.34 130.79 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -129.8 162.91 27.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.922 ' CE2' HG23 ' A' ' 470' ' ' THR . 97.0 m-85 -106.9 131.61 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.8 p -133.54 147.09 51.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.463 HD12 ' HB2' ' A' ' 463' ' ' LEU . 19.4 mt -132.88 136.43 46.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -127.04 94.93 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.867 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.823 0.344 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.29 94.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.53 -40.73 92.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.66 -30.31 71.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.526 ' HE3' ' HA ' ' A' ' 486' ' ' SER . 28.1 ttt -56.77 -35.82 69.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.99 -28.44 24.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.301 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -57.44 -36.28 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.09 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . 0.495 ' HB3' HG11 ' A' ' 490' ' ' VAL . . . -59.83 -40.48 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.139 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 497' ' ' LEU . 20.8 tp -65.76 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.41 -33.72 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.48 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . 0.578 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.1 mm-40 -71.13 -61.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 1.028 HD23 HD21 ' B' ' 960' ' ' LEU . 27.2 mt -60.46 -19.62 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.333 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -55.37 -27.87 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.341 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -68.02 -63.39 1.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 1.028 HD21 HD23 ' B' ' 957' ' ' LEU . 3.9 pp -56.65 -27.56 58.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.129 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . 0.64 ' N ' HD12 ' B' ' 960' ' ' LEU . 43.9 mtt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.821 0.343 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.3 134.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.549 HG22 ' H ' ' A' ' 457' ' ' ASP . 42.6 m -97.32 137.65 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.59 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.5 tt0 -59.52 -35.43 74.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.549 ' H ' HG22 ' A' ' 455' ' ' THR . 92.1 m-20 -59.64 -38.0 80.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.35 -48.86 76.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.737 HG13 HD23 ' A' ' 473' ' ' LEU . 25.7 t -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.68 ' HG3' HD13 ' A' ' 515' ' ' LEU . 60.8 ttp180 -60.45 -37.5 81.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -57.68 -40.53 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 72.7 m-85 -66.55 -47.72 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.04 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.653 HD21 HD11 ' A' ' 473' ' ' LEU . 73.0 mt -67.62 -39.28 84.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 17.3 p -66.65 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -77.27 -50.01 13.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.08 145.57 25.07 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.36 122.13 7.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.0 112.339 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 66.5 mtm -136.33 160.1 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 511' ' ' MET . 22.2 p -87.49 167.06 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.867 HG23 ' CE1' ' A' ' 513' ' ' PHE . 32.7 p -54.89 -44.04 73.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.628 ' HA ' ' HB2' ' B' ' 950' ' ' ALA . 36.6 mttm -57.28 -40.45 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.94 -41.37 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.737 HD23 HG13 ' A' ' 459' ' ' VAL . 4.3 mp -66.35 -43.48 85.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.692 HD11 HG22 ' A' ' 490' ' ' VAL . 4.3 mm? -62.42 -44.84 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -54.97 -35.75 64.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -60.69 -38.93 86.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.6 32.87 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.717 ' O ' HG23 ' A' ' 479' ' ' THR . 51.1 tt0 -60.16 -44.65 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.7 OUTLIER -170.62 34.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -61.13 -68.41 0.31 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.57 29.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 70.3 p -78.32 -29.41 47.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 74.28 17.31 79.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.609 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 mt -120.02 144.56 47.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.0 t -65.76 167.17 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.794 ' O ' HG23 ' A' ' 490' ' ' VAL . 10.2 t -56.83 -40.38 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -69.05 -42.22 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.8 -43.58 83.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 31.6 m -62.27 -44.79 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 486' ' ' SER . 40.2 t -71.36 -33.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.21 -44.17 88.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 31.2 t -73.29 -49.65 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 497' ' ' LEU . 19.4 mt -63.34 -36.84 85.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.09 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.65 -41.28 68.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.24 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 456' ' ' GLU . 5.3 tt -67.63 -44.29 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.095 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.848 ' O ' HD21 ' B' ' 957' ' ' LEU . 5.9 mt -72.41 -36.53 68.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.847 ' O ' HD11 ' B' ' 960' ' ' LEU . 4.2 tmtt? -47.63 -45.06 27.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 111.315 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -79.3 -16.0 57.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.401 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 1.007 HD21 HD11 ' A' ' 515' ' ' LEU . 26.8 tp -55.23 -41.29 71.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.692 0.282 . . . . 0.0 111.645 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.772 ' CB ' HD22 ' B' ' 960' ' ' LEU . 15.9 t-20 55.04 51.56 7.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.77 ' HD2' HD22 ' B' ' 957' ' ' LEU . 72.0 Cg_endo -76.43 170.55 19.75 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.574 2.182 . . . . 0.0 112.381 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.28 160.78 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -128.32 129.72 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.77 148.46 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 21.9 ttt -88.95 107.67 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . 0.428 ' HB ' ' CE1' ' A' ' 512' ' ' HIS . 33.2 mm -116.61 115.88 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 36.5 t30 55.6 46.49 22.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 61.06 36.61 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -144.64 156.2 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.761 ' O ' HG22 ' A' ' 469' ' ' THR . 75.8 mtm -87.64 126.63 35.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.428 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 4.3 m80 -121.23 150.76 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 470' ' ' THR . 81.8 m-85 -107.06 127.57 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 22.7 t -133.03 142.54 48.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 1.007 HD11 HD21 ' A' ' 500' ' ' LEU . 5.4 mt -125.22 141.12 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -114.66 94.98 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.808 0.337 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.82 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.47 -37.36 87.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.37 -31.43 72.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.785 ' HA ' HG21 ' A' ' 490' ' ' VAL . 36.5 mtp -58.47 -48.47 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 471' ' ' LYS . . . -86.11 -32.65 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -57.53 -50.1 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.67 -31.9 67.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.639 HD11 ' CD1' ' A' ' 497' ' ' LEU . 4.6 tp -63.65 -44.59 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.411 ' HB2' HG21 ' A' ' 470' ' ' THR . 84.7 tt0 -71.73 -31.87 67.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.11 88.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.68 -40.66 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.848 HD21 ' O ' ' A' ' 497' ' ' LEU . 10.1 mt -75.48 -24.28 56.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -61.48 -17.35 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.71 -47.79 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 111.291 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 498' ' ' LYS . 0.5 OUTLIER -60.35 -35.25 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.93 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 477' ' ' PHE . 29.2 t -96.91 132.21 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 459' ' ' VAL . 17.2 p -124.3 155.08 39.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.5 tt0 -65.89 -41.12 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -61.82 -40.35 94.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.77 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.64 HG13 HD21 ' A' ' 473' ' ' LEU . 39.5 t -67.63 -37.72 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.901 ' O ' HG23 ' A' ' 464' ' ' THR . 61.6 ttp180 -58.18 -39.38 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -58.2 -34.88 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -64.44 -42.79 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.69 -37.83 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 460' ' ' ARG . 15.9 p -61.16 -33.21 73.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -79.35 -61.56 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.0 150.23 41.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 0.413 ' HB2' HD11 ' A' ' 507' ' ' ILE . 37.3 Cg_endo -66.05 129.17 21.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.197 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.453 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 76.5 mtp -137.29 158.84 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 473' ' ' LEU . 1.3 t -101.75 159.41 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.563 ' CG2' HD22 ' B' ' 953' ' ' LEU . 35.8 p -55.67 -44.11 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.423 ' HB2' ' HB1' ' B' ' 950' ' ' ALA . 86.6 tttt -56.58 -38.12 71.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . 0.453 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 50.3 t0 -61.08 -37.19 81.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.64 HD21 HG13 ' A' ' 459' ' ' VAL . 6.8 mp -66.95 -40.62 87.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.682 HD13 ' HG2' ' B' ' 949' ' ' MET . 40.0 mt -59.37 -40.05 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.89 -37.04 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -62.12 -39.4 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.426 ' CE1' HG22 ' A' ' 454' ' ' VAL . 96.3 m-85 -87.78 -72.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 58.48 52.54 6.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 11.6 p 55.24 45.36 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.196 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 482' ' ' THR . 47.9 tttp -98.06 118.69 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . 0.507 ' C ' HG23 ' A' ' 482' ' ' THR . 0.0 OUTLIER 53.42 -160.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.777 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.507 HG23 ' C ' ' A' ' 481' ' ' LYS . 1.3 p 72.29 -59.95 0.54 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . 0.513 ' C ' HD22 ' A' ' 484' ' ' LEU . . . 106.12 20.87 8.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.643 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 484' ' ' LEU . 3.1 mm? -110.05 134.52 52.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 65.0 p -68.0 167.92 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 490' ' ' VAL . 24.7 m -56.68 -41.41 77.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -68.85 -41.48 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.42 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.591 HG22 HD12 ' A' ' 493' ' ' LEU . 38.3 m -59.62 -41.21 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 486' ' ' SER . 31.6 t -64.85 -35.9 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.04 -45.99 89.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.45 -49.98 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.693 ' HB3' HD11 ' B' ' 953' ' ' LEU . 18.1 mt -62.83 -39.5 94.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.429 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -62.84 -46.01 89.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -70.76 -40.4 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 456' ' ' GLU . 3.5 tt -71.61 -43.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 1.007 HD13 HD21 ' B' ' 953' ' ' LEU . 18.0 mt -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.778 ' O ' HD11 ' B' ' 960' ' ' LEU . 12.0 tptm -53.04 -51.13 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.28 -15.54 56.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.796 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 497' ' ' LEU . 0.2 OUTLIER -45.65 -27.93 0.89 Allowed 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.21 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.719 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER 50.06 48.64 6.26 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.356 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.934 ' HG3' HD21 ' B' ' 957' ' ' LEU . 88.7 Cg_endo -83.56 138.2 8.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.29 1.993 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.13 137.73 55.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -84.41 128.45 34.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -141.68 131.61 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.31 124.04 38.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.045 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 467' ' ' PRO . 45.0 mt -115.27 119.43 61.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.9 m120 63.25 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -160.12 29.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -135.23 155.33 50.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.6 ttp -86.45 126.4 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -131.57 166.3 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 79.0 m-85 -119.71 156.12 31.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 85.8 p -146.72 153.78 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.709 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.2 OUTLIER -140.08 127.14 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -97.46 129.74 44.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.922 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.843 0.354 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.95 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.01 -43.44 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.76 -31.08 70.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.682 ' HG2' HD13 ' A' ' 474' ' ' LEU . 0.7 OUTLIER -57.69 -37.47 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 471' ' ' LYS . . . -86.06 -51.05 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -58.13 -41.22 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 497' ' ' LEU . 9.1 tt -67.92 -40.12 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.04 -38.72 92.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -55.37 -27.02 44.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.385 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . 0.429 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.2 mm-40 -80.16 -59.88 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.19 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.934 HD21 ' HG3' ' A' ' 502' ' ' PRO . 10.8 tp -65.71 -31.41 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.2 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -57.72 -20.22 32.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.206 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.778 HD11 ' O ' ' A' ' 498' ' ' LYS . 11.7 mt -55.14 -39.56 69.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.91 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.775 0.321 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.518 HG11 HD21 ' A' ' 493' ' ' LEU . 22.5 t -101.66 129.71 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 457' ' ' ASP . 29.2 m -130.49 144.61 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.413 ' HB2' HD13 ' A' ' 496' ' ' ILE . 85.6 tt0 -59.11 -36.2 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.514 ' H ' HG22 ' A' ' 455' ' ' THR . 22.0 t70 -59.46 -39.1 82.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.84 94.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.94 -43.65 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.29 -36.42 75.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -57.75 -42.67 84.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -68.1 -45.15 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 513' ' ' PHE . 35.2 mt -66.54 -35.49 80.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -65.96 -31.91 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -77.46 -56.96 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.09 149.06 37.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.25 132.68 21.38 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.641 2.227 . . . . 0.0 112.276 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 62.4 mtm -141.04 155.16 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 11.1 t -84.82 167.81 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 1.054 HG22 HD23 ' B' ' 953' ' ' LEU . 0.5 OUTLIER -57.97 -38.04 75.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -59.46 -42.75 92.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.08 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.75 -41.61 91.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 950' ' ' ALA . 26.8 mt -69.32 -31.55 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -56.08 -26.81 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 75.8 mmtt -57.26 -36.74 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.026 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' A' ' 482' ' ' THR . 87.0 m-85 -157.15 47.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -72.34 -42.7 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 57.1 p -126.96 27.73 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . 0.44 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 61.7 mttp -98.07 148.47 23.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 83.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.467 HG21 ' HB3' ' A' ' 477' ' ' PHE . 36.1 p -112.33 25.47 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.034 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 77.15 -60.89 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 mt -80.2 144.69 32.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 53.1 p -67.3 163.47 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.7 m -58.61 -38.14 77.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -67.14 -47.37 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.1 -32.28 73.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.427 ' O ' HD23 ' A' ' 493' ' ' LEU . 45.6 m -57.69 -41.19 81.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.41 -41.81 93.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -60.74 -46.56 89.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.87 -46.28 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 497' ' ' LEU . 3.8 mm? -62.34 -43.55 98.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.52 71.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.281 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -60.83 -41.08 95.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.566 HG22 HD22 ' A' ' 497' ' ' LEU . 0.9 OUTLIER -78.32 -42.11 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 121.041 0.448 . . . . 0.0 110.648 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.628 ' CD1' HD22 ' A' ' 500' ' ' LEU . 3.5 mm? -68.45 -35.07 77.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.294 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.608 ' O ' HD21 ' B' ' 960' ' ' LEU . 14.4 tptt -47.94 -55.2 10.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.567 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.69 -15.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.072 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 515' ' ' LEU . 32.3 tp -45.36 -56.09 5.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.857 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.571 ' CA ' HD13 ' B' ' 960' ' ' LEU . 23.4 t-20 55.95 51.02 5.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.688 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.0 Cg_endo -76.3 158.02 37.17 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.675 2.25 . . . . 0.0 112.181 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -57.93 132.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.706 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -97.32 99.02 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.197 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -107.26 148.11 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . 0.44 ' O ' HD13 ' A' ' 507' ' ' ILE . 2.8 tpp -96.71 108.96 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 506' ' ' MET . 33.8 mm -122.07 121.88 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 56.93 43.57 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.88 29.8 19.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -134.86 149.39 50.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 65.7 mtt -79.65 112.61 17.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -110.79 144.65 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.79 ' CE2' HG23 ' A' ' 470' ' ' THR . 76.9 m-85 -105.71 136.89 44.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 10.9 t -142.65 141.39 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 500' ' ' LEU . 17.6 mt -122.68 137.68 54.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -118.97 94.96 4.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.831 0.348 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.96 92.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.46 -39.75 88.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.31 -37.37 87.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 70.6 mtm -61.0 -38.17 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 474' ' ' LEU . . . -75.68 -46.44 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.51 -36.77 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.057 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.07 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 1.054 HD23 HG22 ' A' ' 470' ' ' THR . 4.2 tp -68.45 -35.14 77.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.74 -55.41 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.145 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.93 61.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.26 -39.09 72.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.209 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.536 HD13 HD12 ' B' ' 960' ' ' LEU . 0.4 OUTLIER -88.96 -10.09 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.372 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.2 -32.15 54.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -67.98 -31.53 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 498' ' ' LYS . 32.4 mt -58.49 -34.15 70.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 36.0 ttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.85 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.828 0.347 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.66 135.15 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.761 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.3 t -135.5 152.0 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.512 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.61 -39.6 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.761 ' H ' HG23 ' A' ' 455' ' ' THR . . . -63.08 -41.45 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.412 HG11 HD21 ' A' ' 497' ' ' LEU . 32.4 t -65.31 -41.71 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.556 ' HG3' HD22 ' A' ' 515' ' ' LEU . 41.9 ttp180 -59.13 -40.56 85.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -60.64 -40.74 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.65 -45.57 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.29 -35.44 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -64.36 -31.15 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -81.75 -59.67 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -146.02 150.07 40.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.65 138.42 45.33 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 112.268 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.401 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 89.6 mtp -132.61 150.87 52.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.629 HG23 ' CD2' ' A' ' 512' ' ' HIS . 43.7 p -91.37 165.45 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.924 HG23 ' CE1' ' A' ' 513' ' ' PHE . 35.4 p -57.53 -44.76 85.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -60.17 -44.34 95.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . 0.401 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 49.2 t0 -59.03 -37.66 77.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.63 -42.26 87.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.591 HD21 HG22 ' A' ' 490' ' ' VAL . 0.2 OUTLIER -73.2 -40.69 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -59.45 -34.72 72.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.804 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -59.55 -34.82 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.63 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.432 ' CD2' ' HD3' ' A' ' 480' ' ' LYS . 95.6 m-85 -130.1 39.14 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 479' ' ' THR . 52.6 tt0 -55.74 -43.03 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.8 OUTLIER -158.18 87.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.998 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 477' ' ' PHE . 13.1 mtpt -124.04 165.93 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.51 65.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.3 p -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 106.71 -26.5 19.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.66 147.61 27.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.3 m -59.5 160.31 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.7 m -57.69 -40.03 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.52 -40.02 88.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.11 -36.02 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.573 HG22 HD13 ' A' ' 493' ' ' LEU . 18.7 m -59.11 -41.37 87.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.591 HG22 HD21 ' A' ' 474' ' ' LEU . 32.3 t -62.93 -38.4 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -58.97 -44.6 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 37.8 t -71.89 -48.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.573 HD13 HG22 ' A' ' 489' ' ' THR . 8.9 mp -64.72 -34.18 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.81 ' HA ' HD12 ' B' ' 953' ' ' LEU . . . -67.86 -45.59 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -71.06 -37.39 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 456' ' ' GLU . 4.6 tt -72.0 -44.82 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.044 0.45 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 1.104 HD12 HD11 ' B' ' 953' ' ' LEU . 18.3 mt -71.56 -43.92 65.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.368 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.988 ' O ' HD11 ' B' ' 960' ' ' LEU . 2.2 tmtt? -47.18 -44.32 21.98 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.687 0.279 . . . . 0.0 111.454 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -79.79 -15.63 57.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.837 0.351 . . . . 0.0 111.196 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 502' ' ' PRO . 17.8 tp -54.6 -41.2 69.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.961 ' HA ' HD13 ' B' ' 960' ' ' LEU . 38.0 m-80 60.29 49.6 2.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.977 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.801 ' HD2' HD22 ' B' ' 957' ' ' LEU . 7.9 Cg_exo -71.22 143.5 44.08 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.186 1.924 . . . . 0.0 112.106 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -61.5 132.43 53.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.437 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -96.49 120.68 37.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 111.096 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -134.04 149.68 51.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.3 ptp -101.45 108.71 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -118.98 127.53 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.82 42.52 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 59.02 35.46 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -143.83 153.39 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 469' ' ' THR . 64.8 mtt -85.86 124.63 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.629 ' CD2' HG23 ' A' ' 469' ' ' THR . 67.6 m80 -127.76 159.15 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.924 ' CE1' HG23 ' A' ' 470' ' ' THR . 93.1 m-85 -110.12 136.71 48.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.773 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 31.4 t -131.93 150.26 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.556 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -138.47 113.28 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -89.48 132.22 35.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.851 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.824 0.345 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -73.09 -39.08 66.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.56 -38.12 80.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -65.47 -41.99 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 35.5 mtm -68.93 -38.68 79.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.31 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -58.46 -46.67 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.999 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 1.104 HD11 HD12 ' A' ' 497' ' ' LEU . 11.5 tp -68.47 -44.79 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.693 ' HB3' HG21 ' A' ' 470' ' ' THR . 22.3 pt-20 -72.8 -35.83 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.87 -30.79 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -51.36 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.868 HD21 ' O ' ' A' ' 497' ' ' LEU . 31.2 mt -63.99 -29.58 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.121 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . 0.555 ' O ' ' HE2' ' B' ' 961' ' ' MET . 98.9 m-20 -57.21 -26.6 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.159 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -67.82 -35.69 79.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.988 HD11 ' O ' ' A' ' 498' ' ' LYS . 8.1 mt -64.81 -26.91 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . 0.555 ' HE2' ' O ' ' B' ' 958' ' ' ASN . 73.4 mtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 24.5 t -103.87 133.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 457' ' ' ASP . 58.2 m -123.48 140.87 52.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.21 -36.49 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.558 ' H ' HG22 ' A' ' 455' ' ' THR . 89.6 m-20 -59.56 -40.85 88.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.27 92.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.88 -42.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.56 -40.89 88.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 34.9 mtm105 -59.24 -39.42 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -68.73 -46.42 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.675 ' CD1' HD21 ' A' ' 500' ' ' LEU . 44.4 mt -67.01 -36.82 82.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.032 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.0 p -64.26 -30.84 71.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.3 tpt85 -73.93 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 145.67 25.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.77 133.52 57.81 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.512 2.142 . . . . 0.0 112.202 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.432 ' HB2' HD23 ' A' ' 463' ' ' LEU . 85.2 mtp -130.34 150.41 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.439 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.4 p -96.68 169.0 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.517 HG23 ' HE2' ' A' ' 513' ' ' PHE . 67.9 p -57.98 -47.83 81.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.512 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 7.4 mtmp? -63.72 -34.77 78.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -58.98 -36.6 75.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.787 HD13 HD11 ' A' ' 497' ' ' LEU . 71.1 mt -59.77 -46.27 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.29 -35.7 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.22 -41.36 92.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -34.86 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.751 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.81 72.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -75.39 -177.99 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.1 t -55.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . 0.712 ' HG3' HG23 ' A' ' 482' ' ' THR . 59.6 pttt -132.31 -171.27 2.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.28 65.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.712 HG23 ' HG3' ' A' ' 480' ' ' LYS . 67.4 p -105.65 -26.08 11.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.3 -25.7 26.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.79 140.33 37.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.771 0.319 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.6 m -65.41 160.33 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 490' ' ' VAL . 19.4 m -58.34 -38.25 76.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.45 -40.91 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.579 ' O ' HG23 ' A' ' 492' ' ' VAL . 93.9 mt-30 -63.97 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.528 HG22 HD13 ' A' ' 493' ' ' LEU . 40.2 m -61.43 -42.48 98.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 486' ' ' SER . 38.9 t -60.31 -43.43 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 488' ' ' GLN . 40.0 t -66.36 -48.77 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.528 HD13 HG22 ' A' ' 489' ' ' THR . 7.8 mp -69.13 -33.44 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.39 82.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -67.22 -36.72 82.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -76.64 -47.99 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.787 HD11 HD13 ' A' ' 473' ' ' LEU . 76.3 mt -60.66 -35.58 76.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.906 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -51.61 -55.14 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.281 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -73.58 -15.86 61.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.301 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.675 HD21 ' CD1' ' A' ' 463' ' ' LEU . 18.9 tp -48.42 -37.94 18.4 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.76 ' HA ' HD21 ' B' ' 960' ' ' LEU . 22.5 t30 60.16 52.52 3.31 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 94.3 Cg_endo -78.92 159.97 27.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.17 130.32 37.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.705 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -92.27 124.13 36.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -128.29 148.04 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -91.89 97.51 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . 0.535 HG22 HD22 ' A' ' 508' ' ' ASN . 44.2 mt -118.71 121.57 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . 0.535 HD22 HG22 ' A' ' 507' ' ' ILE . 2.7 m-80 57.95 41.96 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 58.91 37.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -149.49 141.72 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -75.66 124.23 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.439 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 62.9 m80 -121.67 143.3 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.517 ' HE2' HG23 ' A' ' 470' ' ' THR . 87.5 m-85 -101.74 129.04 47.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.1 t -143.43 140.48 30.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 18.1 mt -114.29 138.99 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -124.16 94.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.888 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.849 0.357 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.96 -42.25 90.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.13 -38.48 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.99 -36.79 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.98 -40.77 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -85.51 -29.5 24.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -58.6 -43.52 89.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.1 72.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.774 HD21 HD13 ' A' ' 497' ' ' LEU . 10.1 tt -66.09 -44.67 83.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.79 -38.98 90.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.84 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.72 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.636 ' CD2' HD22 ' B' ' 960' ' ' LEU . 2.5 mt -62.93 -24.07 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.966 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -54.48 -31.91 56.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.969 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -68.01 -44.52 76.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -72.82 -37.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.619 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . 0.444 ' N ' HD23 ' B' ' 960' ' ' LEU . 15.6 ptp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.436 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.858 0.361 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.89 131.71 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.738 HG23 ' H ' ' A' ' 458' ' ' ALA . 12.7 t -137.34 157.63 46.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.83 -38.27 87.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -59.09 -42.69 91.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.738 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.75 -39.57 93.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 455' ' ' THR . 27.3 t -66.72 -46.11 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.009 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -59.27 -38.78 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.439 ' CZ ' ' HE2' ' A' ' 476' ' ' LYS . 23.1 m-85 -70.34 -44.8 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.98 -34.74 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.2 p -61.7 -24.89 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -80.76 -65.12 1.05 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 150.05 40.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.27 135.57 65.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.227 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 90.2 mtp -134.23 145.07 48.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 512' ' ' HIS . 42.2 p -90.62 161.53 15.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.639 HG21 ' CB ' ' B' ' 954' ' ' GLU . 42.1 p -58.05 -45.95 86.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -60.93 -43.04 99.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.09 -38.94 92.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.71 -41.07 88.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.711 HD21 HG22 ' A' ' 490' ' ' VAL . 0.4 OUTLIER -64.5 -40.91 96.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.36 -30.09 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.439 ' HE2' ' CZ ' ' A' ' 462' ' ' TYR . 36.6 tttp -58.0 -36.5 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.415 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 74.4 m-85 -133.19 30.44 3.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.509 ' HG3' HG23 ' A' ' 479' ' ' THR . 17.7 pt20 -68.34 -46.38 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.099 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.509 HG23 ' HG3' ' A' ' 478' ' ' GLN . 53.2 p -133.51 26.07 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -79.83 148.97 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -61.88 84.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 43.8 p -116.02 -24.21 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.8 -22.36 35.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.8 mm? -96.15 143.78 26.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.4 m -60.53 160.18 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.9 m -57.43 -42.41 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.72 -40.22 72.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.58 -34.92 78.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.452 HG22 HD12 ' A' ' 493' ' ' LEU . 28.8 m -58.3 -41.78 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' B' ' 949' ' ' MET . 33.8 t -64.64 -39.58 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -58.23 -44.85 88.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.29 -44.92 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 497' ' ' LEU . 18.5 mt -64.21 -39.29 93.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.538 ' HB1' ' HG2' ' B' ' 956' ' ' GLU . . . -64.2 -38.98 92.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -76.98 -44.74 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.2 tt -64.21 -44.64 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.078 0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 1.122 HD13 HD21 ' B' ' 953' ' ' LEU . 6.6 mt -68.98 -31.4 70.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.702 ' O ' HD11 ' B' ' 960' ' ' LEU . 13.0 tptm -47.87 -50.48 26.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -79.96 -15.5 57.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.773 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.742 HD22 HD23 ' A' ' 497' ' ' LEU . 54.1 tp -45.72 -54.0 8.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.633 ' HA ' HD13 ' B' ' 960' ' ' LEU . 4.7 m-20 65.61 48.42 0.62 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.56 ' HG3' HD23 ' A' ' 500' ' ' LEU . 73.8 Cg_endo -74.7 175.97 10.41 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.564 2.176 . . . . 0.0 112.212 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.34 160.46 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.744 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -121.38 126.43 49.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.69 131.76 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -84.97 108.05 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -118.76 122.21 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 57.34 43.39 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.07 31.23 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.52 153.25 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.45 ' HE1' ' CZ ' ' A' ' 513' ' ' PHE . 2.8 tmm? -86.83 123.07 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.531 ' CD2' HG23 ' A' ' 469' ' ' THR . 68.2 m80 -124.82 146.6 49.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.45 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 31.7 m-85 -103.83 135.43 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.7 t -145.22 143.58 30.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 502' ' ' PRO . 0.1 OUTLIER -118.6 130.21 55.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -93.92 126.84 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.909 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.75 0.31 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.12 85.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.38 -36.54 82.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.25 -42.56 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.741 ' HB2' HG21 ' A' ' 490' ' ' VAL . 6.3 ptt? -75.13 -31.05 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.36 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -59.04 -39.25 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.51 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 1.122 HD21 HD13 ' A' ' 497' ' ' LEU . 8.8 tt -61.83 -41.09 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.639 ' CB ' HG21 ' A' ' 470' ' ' THR . 85.5 tt0 -65.41 -43.39 90.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.57 74.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . 0.538 ' HG2' ' HB1' ' A' ' 494' ' ' ALA . 45.8 tp10 -65.05 -44.42 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.792 HD21 ' O ' ' A' ' 497' ' ' LEU . 2.0 mt -77.11 -29.03 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -55.61 -23.41 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.238 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -67.87 -29.93 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.145 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.702 HD11 ' O ' ' A' ' 498' ' ' LYS . 12.5 mt -52.21 -69.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.846 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.766 0.317 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' A' ' 477' ' ' PHE . 5.7 m -72.88 129.68 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.1 p -127.82 150.64 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.488 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -68.09 -40.02 82.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.64 -39.88 89.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.34 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.2 -39.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.737 ' HG3' HD13 ' A' ' 515' ' ' LEU . 36.1 ttm180 -59.38 -36.4 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -58.38 -39.72 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.444 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 54.3 m-85 -70.05 -46.21 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.57 HD12 HD12 ' A' ' 515' ' ' LEU . 59.6 mt -67.5 -34.4 77.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.0 p -62.52 -31.22 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -77.0 -59.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -146.11 143.09 18.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.774 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.02 137.78 69.69 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 79.9 mtp -135.83 155.59 50.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.404 HG22 ' CD2' ' A' ' 512' ' ' HIS . 23.0 p -87.75 165.12 15.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.839 HG23 ' CE2' ' A' ' 513' ' ' PHE . 0.8 OUTLIER -57.93 -46.89 84.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.593 ' HE3' ' HB1' ' B' ' 946' ' ' ALA . 86.2 tttt -59.21 -39.76 83.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -62.13 -38.59 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.46 -45.71 89.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.586 HD21 ' CE ' ' B' ' 949' ' ' MET . 28.8 tp -65.8 -33.61 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -58.66 -36.79 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.444 ' HD3' ' CE2' ' A' ' 462' ' ' TYR . 52.2 mttm -59.46 -30.46 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.556 ' O ' HG21 ' A' ' 489' ' ' THR . 98.1 m-85 -131.48 78.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -105.27 172.91 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.4 t -56.37 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.89 -76.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -134.36 14.22 3.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.2 p -69.24 -28.58 66.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.86 -26.03 26.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 54.3 mt -100.38 145.97 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.5 m -59.58 164.0 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.539 ' HB2' ' HE3' ' B' ' 949' ' ' MET . 86.8 p -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.63 -39.38 73.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.01 -37.17 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.705 HG22 HD12 ' A' ' 493' ' ' LEU . 23.2 m -59.5 -39.58 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.43 -34.61 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -58.55 -46.26 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.0 t -72.44 -47.67 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.705 HD12 HG22 ' A' ' 489' ' ' THR . 9.8 mt -62.99 -38.83 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -77.3 -44.82 28.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 456' ' ' GLU . 4.3 tt -63.46 -45.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.145 0.498 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.666 ' O ' HD21 ' B' ' 957' ' ' LEU . 4.6 mt -66.37 -33.23 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.752 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.737 ' O ' HD11 ' B' ' 960' ' ' LEU . 15.3 tptm -50.4 -48.89 55.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -80.22 -15.52 56.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.671 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.625 HD22 HD23 ' A' ' 497' ' ' LEU . 53.3 tp -45.61 -54.67 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.634 ' HA ' HD13 ' B' ' 960' ' ' LEU . 17.1 t-20 66.64 47.65 0.48 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.726 0.298 . . . . 0.0 111.0 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.617 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.4 Cg_endo -75.44 172.04 17.09 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.528 2.152 . . . . 0.0 112.245 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -96.05 131.34 42.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -99.0 129.71 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -133.26 144.3 49.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.11 102.84 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.5 mt -119.99 124.62 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.71 40.88 26.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.31 30.45 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -141.71 140.33 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 125.96 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.404 ' CD2' HG22 ' A' ' 469' ' ' THR . 61.2 m80 -126.71 152.11 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.839 ' CE2' HG23 ' A' ' 470' ' ' THR . 61.4 m-85 -104.46 127.92 52.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.3 t -134.64 134.34 41.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 460' ' ' ARG . 15.3 mt -115.03 140.22 49.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -125.11 94.91 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.878 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . 0.593 ' HB1' ' HE3' ' A' ' 471' ' ' LYS . . . -70.29 -36.25 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.82 -45.03 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.4 -33.3 60.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.586 ' CE ' HD21 ' A' ' 474' ' ' LEU . 0.0 OUTLIER -62.82 -43.61 98.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.72 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -58.71 -43.24 90.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.61 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 470' ' ' THR . 1.5 tp -62.11 -50.39 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.603 ' CA ' HG21 ' A' ' 470' ' ' THR . 83.6 tt0 -71.97 -36.52 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.323 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -85.18 -43.84 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 497' ' ' LEU . 0.6 OUTLIER -77.11 -24.88 51.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.731 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -58.22 -19.25 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.383 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . 0.401 ' HB3' ' CE ' ' A' ' 498' ' ' LYS . 45.6 t0 -67.79 -31.63 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.236 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.737 HD11 ' O ' ' A' ' 498' ' ' LYS . 15.6 mt -54.87 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 59.5 ttp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.932 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.3 t -109.29 128.42 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 459' ' ' VAL . 22.7 p -129.99 159.83 35.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.473 ' HB2' HD13 ' A' ' 496' ' ' ILE . 86.9 tt0 -63.93 -40.39 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.15 -38.42 86.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.983 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.86 -44.13 90.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 455' ' ' THR . 24.6 t -61.85 -47.46 93.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.833 ' HG3' HD13 ' A' ' 515' ' ' LEU . 26.0 ttm105 -61.81 -36.69 81.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -57.19 -40.55 77.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 79.3 m-85 -69.98 -42.79 72.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.936 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.685 HD13 HD12 ' A' ' 515' ' ' LEU . 7.7 mt -66.68 -34.78 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -64.88 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.51 -59.88 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -146.12 146.09 26.86 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.23 132.54 52.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.516 2.144 . . . . 0.0 112.198 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.55 ' CG ' HD23 ' A' ' 463' ' ' LEU . 7.6 ptm -147.28 148.37 31.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 31.1 p -80.08 162.81 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.702 HG23 ' CD2' ' A' ' 513' ' ' PHE . 1.0 OUTLIER -62.44 -33.52 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.985 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.538 ' HA ' ' HB1' ' B' ' 950' ' ' ALA . 64.3 tttm -57.28 -42.42 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.53 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.452 HD23 ' CE ' ' A' ' 468' ' ' MET . 67.8 mt -62.58 -41.88 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 490' ' ' VAL . 2.2 tm? -68.21 -49.48 60.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -64.59 -35.54 81.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -58.3 -40.14 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.406 ' O ' HG21 ' A' ' 489' ' ' THR . 97.2 m-85 -126.09 70.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 49.0 p -92.91 15.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.343 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -97.71 -69.68 0.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -176.32 48.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.87 121.97 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -57.93 -22.3 47.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.406 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 tp -79.91 149.28 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 24.4 m -57.89 150.74 19.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.2 p -62.41 -36.03 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.3 -44.51 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.728 ' O ' HG23 ' A' ' 492' ' ' VAL . 57.9 mt-30 -66.14 -35.85 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 477' ' ' PHE . 31.9 m -59.29 -40.41 86.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 486' ' ' SER . 27.1 t -60.51 -46.14 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -61.86 -38.88 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.9 t -62.15 -51.57 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.83 -36.27 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.429 ' HB1' ' OE1' ' B' ' 956' ' ' GLU . . . -63.76 -47.87 79.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.205 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.87 -35.54 76.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 456' ' ' GLU . 0.3 OUTLIER -78.07 -49.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.949 HD13 HD21 ' B' ' 953' ' ' LEU . 41.0 mt -60.64 -40.34 91.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.729 ' O ' HD22 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -48.15 -53.33 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.57 -179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -79.13 -15.39 58.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.564 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.912 HD21 HD21 ' A' ' 515' ' ' LEU . 5.8 tt -45.73 -45.35 14.35 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.554 ' HA ' HD21 ' B' ' 960' ' ' LEU . 4.5 t30 63.79 54.79 1.67 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.984 0.421 . . . . 0.0 110.626 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.879 ' HG3' HD21 ' B' ' 957' ' ' LEU . 75.6 Cg_endo -77.06 -168.59 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.814 2.343 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -109.15 156.02 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.6 mtm105 -112.44 131.15 55.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . 0.657 ' CD ' HD11 ' A' ' 507' ' ' ILE . 1.6 ttmp? -136.95 133.85 36.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.47 107.87 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . 0.657 HD11 ' CD ' ' A' ' 505' ' ' LYS . 36.7 mm -118.72 117.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 56.44 43.81 25.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 60.2 37.87 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -146.89 137.88 23.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 24.0 ptm -66.09 123.33 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 6.2 m80 -121.98 150.39 42.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.702 ' CD2' HG23 ' A' ' 470' ' ' THR . 41.4 m-85 -98.61 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.2 t -138.76 145.49 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.912 HD21 HD21 ' A' ' 500' ' ' LEU . 1.6 mt -127.51 135.7 50.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -111.56 99.62 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.892 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.8 98.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -60.43 -35.4 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 65.9 ttp -80.82 -35.36 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 471' ' ' LYS . . . -70.28 -35.4 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -29.33 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.09 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.949 HD21 HD13 ' A' ' 497' ' ' LEU . 9.3 tt -66.34 -44.38 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.66 -30.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.056 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.36 -33.66 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 494' ' ' ALA . 91.1 mt-10 -78.27 -54.43 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' A' ' 502' ' ' PRO . 13.0 tp -64.66 -32.98 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.32 -38.26 83.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.01 -41.57 82.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 498' ' ' LYS . 0.4 OUTLIER -59.48 -34.95 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.738 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 17.5 ttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.868 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 493' ' ' LEU . 29.1 t -99.96 133.45 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.09 155.89 26.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.4 -37.45 80.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -58.26 -51.35 70.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.197 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.406 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -58.33 -36.54 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.598 HG11 HD21 ' A' ' 497' ' ' LEU . 38.2 t -79.08 -39.03 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.845 ' O ' HG23 ' A' ' 464' ' ' THR . 26.1 ttm105 -62.51 -45.27 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.339 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -56.64 -38.18 71.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.225 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 20.5 m-85 -62.44 -44.87 95.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.065 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.603 HD12 HD12 ' A' ' 515' ' ' LEU . 82.2 mt -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 460' ' ' ARG . 62.7 p -60.41 -32.73 71.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -80.97 -49.05 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 140.83 15.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 128.81 14.87 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.51 2.14 . . . . 0.0 112.225 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.6 163.7 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.814 HG23 ' CD2' ' A' ' 512' ' ' HIS . 19.0 p -92.25 173.29 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.815 ' CB ' HD23 ' B' ' 953' ' ' LEU . 4.9 p -57.64 -44.3 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.729 ' HD2' ' HB2' ' B' ' 950' ' ' ALA . 0.0 OUTLIER -58.74 -39.38 80.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.984 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.1 -37.67 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.631 HD12 HD21 ' B' ' 953' ' ' LEU . 71.4 mt -62.15 -41.06 97.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' B' ' 949' ' ' MET . 59.6 mt -67.72 -36.87 81.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.11 -35.98 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -61.38 -33.1 73.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -151.75 66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -89.21 -68.77 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 70.8 p -117.4 32.38 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.734 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -173.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -50.16 -25.35 3.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.525 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 43.6 p -46.95 -31.5 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 63.23 29.3 74.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.646 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 75.6 mt -93.97 130.05 40.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -61.72 163.79 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.2 p -58.02 -38.06 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -76.02 -38.76 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 492' ' ' VAL . 94.6 mt-30 -71.39 -39.87 70.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.46 HG22 HD12 ' A' ' 493' ' ' LEU . 37.5 m -60.71 -47.9 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' B' ' 949' ' ' MET . 15.4 m -62.75 -43.47 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 490' ' ' VAL . 86.5 m-20 -52.19 -35.88 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.275 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 488' ' ' GLN . 25.1 t -81.0 -59.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.528 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 497' ' ' LEU . 39.2 mt -60.3 -44.54 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.394 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' B' ' 953' ' ' LEU . . . -60.25 -41.51 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -74.74 -45.02 46.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.4 tt -63.67 -43.53 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 493' ' ' LEU . 1.2 mt -72.68 -26.96 61.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.82 ' O ' HD13 ' B' ' 960' ' ' LEU . 10.3 tmtt? -48.39 -54.99 11.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 111.443 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . 0.565 ' HA ' HD13 ' B' ' 960' ' ' LEU . 95.6 mtt180 -77.42 -15.82 59.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.592 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.645 HD22 HD23 ' A' ' 497' ' ' LEU . 25.7 tp -47.78 -36.15 11.19 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.879 ' HA ' HD21 ' B' ' 960' ' ' LEU . 16.9 t-20 57.45 52.37 5.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.442 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 81.6 Cg_endo -77.55 138.22 17.12 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.583 2.188 . . . . 0.0 112.305 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.62 138.71 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.428 ' NH1' ' HE1' ' B' ' 961' ' ' MET . 28.2 ptt180 -104.3 123.82 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -132.41 146.46 51.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 17.7 ptp -92.79 109.74 21.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -119.56 127.61 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.0 42.98 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 59.68 30.69 20.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 469' ' ' THR . 45.0 tttp -144.93 138.44 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.564 ' O ' HG22 ' A' ' 469' ' ' THR . 24.7 ptt? -73.09 128.98 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.814 ' CD2' HG23 ' A' ' 469' ' ' THR . 63.5 m80 -130.98 166.27 21.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.723 ' HE2' HG23 ' A' ' 470' ' ' THR . 47.8 m-85 -106.25 132.64 52.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.6 t -136.95 143.31 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.727 HD13 ' HG3' ' A' ' 460' ' ' ARG . 1.8 mt -128.18 143.02 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -125.42 105.44 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.964 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . 0.438 ' HB1' ' NZ ' ' A' ' 471' ' ' LYS . . . -59.88 -48.26 82.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.263 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.38 -35.05 79.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.73 -37.33 86.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.685 ' HB3' HD13 ' A' ' 474' ' ' LEU . 96.4 mtp -60.44 -36.86 79.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.729 ' HB2' ' HD2' ' A' ' 471' ' ' LYS . . . -67.11 -37.94 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.8 -44.81 90.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.87 80.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.815 HD23 ' CB ' ' A' ' 470' ' ' THR . 3.8 tp -68.04 -42.92 79.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.768 ' CA ' HG21 ' A' ' 470' ' ' THR . 15.2 pt-20 -74.97 -44.92 45.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.257 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.66 -30.87 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.45 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -69.96 -51.51 32.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.828 ' CD2' HD22 ' B' ' 960' ' ' LEU . 1.3 mt -69.97 -27.86 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.06 -31.79 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.035 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -67.87 -40.97 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.879 HD21 ' HA ' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -79.57 -34.07 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . 0.428 ' HE1' ' NH1' ' A' ' 504' ' ' ARG . 97.5 mmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.675 HG11 HD21 ' A' ' 493' ' ' LEU . 21.2 t -96.67 128.09 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 459' ' ' VAL . 42.2 m -127.75 144.25 51.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.48 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -59.52 -40.17 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.476 ' H ' HG22 ' A' ' 455' ' ' THR . 47.6 t0 -61.71 -40.06 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.32 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.58 ' O ' HD12 ' A' ' 463' ' ' LEU . 37.0 t -64.44 -46.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.764 ' HG3' HD22 ' A' ' 515' ' ' LEU . 44.2 ttp180 -59.16 -32.96 70.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -56.2 -36.42 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.25 -44.03 72.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.064 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 459' ' ' VAL . 4.4 mp -68.3 -35.13 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.7 p -63.05 -28.69 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -78.84 -64.03 1.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 155.19 51.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 138.86 66.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.545 2.163 . . . . 0.0 112.277 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.503 ' SD ' HD23 ' A' ' 473' ' ' LEU . 15.5 ttt -143.06 141.31 31.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.575 HG22 ' CD2' ' A' ' 512' ' ' HIS . 17.4 p -82.49 160.53 22.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 41.5 p -59.87 -45.63 91.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -59.84 -40.04 87.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.7 -37.96 77.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.503 HD23 ' SD ' ' A' ' 468' ' ' MET . 81.3 mt -65.18 -41.7 94.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.617 HD13 ' HG2' ' B' ' 949' ' ' MET . 8.9 mt -71.45 -33.57 69.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -60.64 -38.35 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -60.82 -38.49 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -126.32 42.08 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.8 p -157.67 27.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -64.66 -45.09 88.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.948 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -175.77 100.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 29.2 p -155.08 -44.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 105.44 -22.76 31.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 484' ' ' LEU . 1.7 mm? -93.35 143.27 26.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.2 m -59.9 165.25 3.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.785 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.4 p -57.37 -33.61 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.98 -40.05 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.78 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -66.27 -40.66 90.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 26.2 m -60.33 -38.83 84.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 486' ' ' SER . 40.4 t -65.05 -30.06 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.53 -45.07 85.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.025 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 36.8 t -71.67 -51.19 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.675 HD21 HG11 ' A' ' 454' ' ' VAL . 4.0 mm? -62.31 -30.54 71.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.686 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -66.37 -44.65 82.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.299 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.52 -42.04 59.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.352 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 456' ' ' GLU . 6.1 tt -63.3 -44.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.882 HD13 HD11 ' B' ' 953' ' ' LEU . 6.2 mt -72.13 -31.99 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.743 ' O ' HD22 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -47.93 -51.88 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -79.3 -15.46 57.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.666 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.793 HD22 HD23 ' A' ' 497' ' ' LEU . 27.4 tp -45.8 -45.41 14.75 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.735 ' HA ' HD21 ' B' ' 960' ' ' LEU . 26.8 m-20 61.32 50.63 1.98 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.771 0.319 . . . . 0.0 110.991 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.712 ' HD2' HD22 ' B' ' 957' ' ' LEU . 72.0 Cg_endo -73.87 -167.71 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.58 2.186 . . . . 0.0 112.211 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -112.03 132.0 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.701 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -100.88 124.82 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -135.97 145.48 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 52.0 ttm -97.31 107.8 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -121.41 125.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.25 40.64 27.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 60.31 35.78 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -140.95 153.07 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 6.0 tpt -85.24 120.23 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.575 ' CD2' HG22 ' A' ' 469' ' ' THR . 66.0 m80 -123.1 140.77 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 20.4 m-85 -103.69 132.6 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 47.3 m -133.34 154.69 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.764 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -137.68 138.38 39.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -98.92 127.06 44.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.94 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.827 0.346 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -64.6 -34.04 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.08 -29.49 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.617 ' HG2' HD13 ' A' ' 474' ' ' LEU . 20.6 ttt -55.57 -44.21 76.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 474' ' ' LEU . . . -86.1 -42.04 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -56.72 -39.53 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.038 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.43 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.882 HD11 HD13 ' A' ' 497' ' ' LEU . 0.3 OUTLIER -65.57 -42.75 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.43 -41.56 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.09 69.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . 0.686 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 79.1 mm-40 -66.03 -44.83 83.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.861 HD21 ' O ' ' A' ' 497' ' ' LEU . 15.4 mt -84.09 -18.0 38.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -57.73 -43.99 85.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.724 0.297 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.88 -49.47 61.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.743 HD22 ' O ' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -65.03 -34.14 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.668 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.793 0.33 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.5 m -69.4 128.25 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.232 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 458' ' ' ALA . 14.9 t -142.42 153.46 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.545 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -60.01 -38.78 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.12 -35.82 76.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.734 ' H ' HG23 ' A' ' 455' ' ' THR . . . -59.93 -33.76 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.7 HG11 HD21 ' A' ' 497' ' ' LEU . 26.2 t -78.11 -40.98 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 464' ' ' THR . 26.1 ttm105 -60.55 -43.82 96.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.78 -43.33 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.088 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 21.3 m-85 -69.81 -41.82 74.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.684 ' CD1' HG12 ' A' ' 459' ' ' VAL . 17.0 mt -68.58 -40.14 80.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.031 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 460' ' ' ARG . 39.7 p -62.52 -29.74 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -69.76 -64.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.97 147.0 30.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.849 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.19 132.4 50.2 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.658 ' HG2' HD23 ' A' ' 463' ' ' LEU . 6.7 ptm -140.41 149.64 42.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 32.3 p -88.05 169.34 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.588 HG23 ' CE2' ' A' ' 513' ' ' PHE . 20.1 p -59.52 -42.18 91.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.509 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 28.5 mtpt -58.83 -38.44 78.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.57 -37.32 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.411 HD23 ' CE ' ' A' ' 468' ' ' MET . 70.3 mt -61.48 -45.1 95.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.777 HD13 ' HB3' ' B' ' 949' ' ' MET . 34.9 mt -69.94 -30.58 68.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.88 -35.58 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -60.75 -37.94 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -139.73 55.86 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.735 ' HG3' HG22 ' A' ' 479' ' ' THR . 13.2 pt20 -64.17 -39.69 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.735 HG22 ' HG3' ' A' ' 478' ' ' GLN . 1.9 t -175.67 47.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -177.23 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -69.68 66.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 40.2 p -109.38 -23.3 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 101.45 -22.37 39.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.1 mm? -98.54 139.2 34.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.728 0.299 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.1 t -71.77 162.98 28.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.867 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.0 p -57.88 -35.84 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.38 -43.99 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.794 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.42 -40.38 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.441 ' O ' HD23 ' A' ' 493' ' ' LEU . 45.1 m -60.3 -42.55 95.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 486' ' ' SER . 40.4 t -63.11 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.33 -42.74 87.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 29.2 t -76.36 -48.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -64.03 -31.88 73.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -68.7 -42.47 77.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -73.79 -41.72 62.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' A' ' 456' ' ' GLU . 6.7 tt -65.86 -44.82 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.049 0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.869 ' O ' HD13 ' B' ' 957' ' ' LEU . 55.7 mt -69.95 -29.52 66.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.742 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.9 OUTLIER -55.15 -54.2 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 111.037 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . 0.466 ' HA ' HD13 ' B' ' 960' ' ' LEU . 94.2 mtt180 -77.28 -15.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.491 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.616 HD22 HD23 ' A' ' 497' ' ' LEU . 27.6 tp -46.06 -28.89 1.3 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.789 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.947 ' HA ' HD21 ' B' ' 960' ' ' LEU . 22.1 p30 43.54 51.65 7.67 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.565 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.951 ' HD2' HD11 ' B' ' 957' ' ' LEU . 87.4 Cg_endo -77.57 146.63 24.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 53.8 mp0 -65.86 136.14 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -90.34 131.44 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -132.91 132.24 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.7 mtp -88.8 105.94 18.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -121.26 127.47 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.55 40.12 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 58.68 38.66 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -147.03 153.43 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.1 mtt -77.86 124.25 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 60.6 m80 -127.53 150.02 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.588 ' CE2' HG23 ' A' ' 470' ' ' THR . 83.7 m-85 -107.21 134.66 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 30.4 t -147.96 141.04 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.63 138.29 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -117.61 94.87 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.906 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.823 0.345 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.66 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.22 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -58.12 -43.07 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.014 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -68.08 -36.78 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.777 ' HB3' HD13 ' A' ' 474' ' ' LEU . 95.1 mtp -61.3 -42.56 98.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.509 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -86.1 -46.69 10.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.256 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 86.0 tttt -58.03 -46.71 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.083 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.18 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 497' ' ' LEU . 9.4 tt -69.01 -46.8 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.76 -33.35 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -58.47 -27.53 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.44 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.4 -49.9 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.316 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.951 HD11 ' HD2' ' A' ' 502' ' ' PRO . 26.7 tp -71.75 -37.67 70.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.649 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' B' ' 959' ' ' ASP . 41.3 p-10 -57.78 -21.78 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.342 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' B' ' 958' ' ' ASN . 49.6 t0 -78.12 -55.29 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.947 HD21 ' HA ' ' A' ' 501' ' ' ASN . 0.0 OUTLIER -63.39 -33.83 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.723 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . 0.642 ' N ' HD23 ' B' ' 960' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.762 0.315 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 493' ' ' LEU . 22.0 t -105.82 129.13 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 457' ' ' ASP . 49.4 m -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.446 ' HB2' HD13 ' A' ' 496' ' ' ILE . 86.6 tt0 -60.36 -34.81 74.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.578 ' H ' HG22 ' A' ' 455' ' ' THR . 92.8 m-20 -58.31 -41.77 85.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -67.73 -37.87 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 455' ' ' THR . 22.0 t -66.63 -47.15 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.674 ' NE ' HD22 ' A' ' 515' ' ' LEU . 15.5 tpt180 -60.49 -42.26 95.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.23 -38.92 84.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.416 ' CE2' ' HE2' ' A' ' 476' ' ' LYS . 21.8 m-85 -67.77 -45.66 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.37 -35.64 81.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -32.93 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -77.02 -49.31 15.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 146.43 28.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.2 128.9 12.54 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.595 2.197 . . . . 0.0 112.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.1 mtm -131.67 154.52 48.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 511' ' ' MET . 13.7 p -81.23 162.99 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 9.5 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.907 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 56.2 mtpt -59.22 -41.66 89.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.8 -41.86 97.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.413 HD13 HD21 ' A' ' 497' ' ' LEU . 78.6 mt -60.38 -38.8 85.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.666 ' CD2' HD13 ' B' ' 953' ' ' LEU . 0.1 OUTLIER -73.9 -49.19 25.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -66.27 -31.86 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.416 ' HE2' ' CE2' ' A' ' 462' ' ' TYR . 51.4 tttt -57.07 -26.97 61.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.443 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.744 ' O ' HG23 ' A' ' 482' ' ' THR . 97.0 m-85 -119.0 -48.09 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.507 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.698 ' HA ' HG21 ' A' ' 489' ' ' THR . 25.7 tt0 -53.76 -46.65 71.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.469 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 17.2 p -97.8 25.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.21 -76.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -153.95 28.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 477' ' ' PHE . 71.9 p -75.46 124.09 26.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -76.84 -21.14 75.03 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.682 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -79.94 157.93 26.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -58.1 160.7 4.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.8 p -59.41 -37.15 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -67.88 -44.71 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 492' ' ' VAL . 92.2 mt-30 -65.13 -38.42 90.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.698 HG21 ' HA ' ' A' ' 478' ' ' GLN . 27.5 m -59.37 -41.38 89.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 486' ' ' SER . 40.2 t -64.45 -42.74 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -58.34 -42.98 88.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 488' ' ' GLN . 29.5 t -63.17 -47.35 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 497' ' ' LEU . 26.4 mt -70.08 -39.72 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.662 ' HB1' ' OE1' ' B' ' 956' ' ' GLU . . . -60.82 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.287 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -36.76 77.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.03 -49.54 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.824 ' O ' HD11 ' B' ' 957' ' ' LEU . 1.0 OUTLIER -66.52 -30.21 70.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.313 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.816 ' O ' HD11 ' B' ' 960' ' ' LEU . 8.7 ttmt -47.7 -46.94 30.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -79.4 -15.84 57.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.492 HD11 ' HD3' ' A' ' 460' ' ' ARG . 42.5 tp -51.22 -46.13 62.16 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.556 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.4 OUTLIER 57.06 49.04 3.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.969 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.79 ' HD2' HD12 ' B' ' 957' ' ' LEU . 74.1 Cg_endo -74.7 140.96 27.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.506 2.137 . . . . 0.0 112.338 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.9 143.46 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.782 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -95.5 126.4 40.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -132.23 144.1 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 59.3 ttp -103.53 104.27 14.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.49 131.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.8 38.57 21.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 57.19 35.62 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.89 148.9 41.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.764 ' O ' HG22 ' A' ' 469' ' ' THR . 94.3 mmm -78.89 114.81 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.54 148.19 44.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -107.32 128.27 54.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.3 t -149.45 147.94 28.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.674 HD22 ' NE ' ' A' ' 460' ' ' ARG . 0.0 OUTLIER -120.95 155.05 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.79 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -106.16 94.78 5.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.961 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.752 0.311 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.97 89.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.76 -34.98 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . 0.4 ' HA ' ' CG ' ' B' ' 951' ' ' LYS . 98.2 mt-10 -60.36 -35.24 75.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 97.1 mtp -67.14 -37.89 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.907 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -86.11 -53.04 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.688 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 0.1 OUTLIER -56.63 -33.14 66.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.474 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.83 -58.05 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.428 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.666 HD13 ' CD2' ' A' ' 474' ' ' LEU . 1.2 tt -70.94 -45.19 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.51 -33.51 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -60.94 -41.01 95.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . 0.662 ' OE1' ' HB1' ' A' ' 494' ' ' ALA . 90.4 mt-10 -69.91 -42.79 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.074 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.824 HD11 ' O ' ' A' ' 497' ' ' LEU . 4.5 mm? -70.0 -31.1 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -59.52 -23.17 62.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -67.72 -36.84 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.11 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.816 HD11 ' O ' ' A' ' 498' ' ' LYS . 1.4 mt -58.78 -35.46 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.407 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.551 HG22 ' CE1' ' A' ' 477' ' ' PHE . 27.4 t -108.44 135.47 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.1 t -133.04 154.56 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.07 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.71 -42.11 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.731 ' H ' HG23 ' A' ' 455' ' ' THR . . . -65.28 -41.05 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.19 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.41 -44.68 77.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.841 ' O ' HG23 ' A' ' 464' ' ' THR . 73.5 mtp85 -60.4 -39.85 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -57.83 -37.6 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.7 -39.52 91.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.46 HD21 HD11 ' A' ' 473' ' ' LEU . 88.3 mt -77.11 -43.28 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.841 HG23 ' O ' ' A' ' 460' ' ' ARG . 43.6 p -60.34 -34.17 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -79.88 -51.09 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -146.07 137.64 13.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.46 124.48 9.41 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.466 2.111 . . . . 0.0 112.287 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.457 ' SD ' HD23 ' A' ' 473' ' ' LEU . 11.4 ptp -135.4 156.64 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 511' ' ' MET . 29.2 p -81.06 170.26 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.989 HG23 ' CE2' ' A' ' 513' ' ' PHE . 4.7 p -58.48 -38.07 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -57.66 -45.05 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.49 -38.12 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.46 HD11 HD21 ' A' ' 463' ' ' LEU . 70.2 mt -66.18 -43.32 87.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 1.094 HD22 HD23 ' A' ' 493' ' ' LEU . 0.3 OUTLIER -70.94 -49.01 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -60.32 -39.78 88.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -38.84 85.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.791 ' O ' HG21 ' A' ' 489' ' ' THR . 0.2 OUTLIER -105.58 24.72 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.51 ' HG3' ' HE2' ' B' ' 949' ' ' MET . 9.8 tm0? -128.18 -61.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 66.7 p -60.22 -31.44 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -73.27 144.61 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -60.15 101.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.2 p -111.63 -24.0 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 107.31 -26.36 18.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 50.9 mt -100.46 149.69 23.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.7 m -58.8 158.06 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 490' ' ' VAL . 9.6 t -58.2 -38.9 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -72.13 -38.28 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.09 -40.59 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.791 HG21 ' O ' ' A' ' 477' ' ' PHE . 90.9 m -61.98 -44.04 97.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.67 HG22 HD11 ' A' ' 474' ' ' LEU . 34.9 t -62.68 -41.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -60.9 -50.22 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.55 -48.13 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.237 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 1.094 HD23 HD22 ' A' ' 474' ' ' LEU . 23.7 tp -59.68 -35.26 74.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.58 91.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.941 0.4 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.7 -41.35 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 2.3 tt -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.777 HD12 ' HG ' ' A' ' 493' ' ' LEU . 3.0 mt -74.57 -43.6 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.742 ' O ' HD21 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -47.4 -43.85 23.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.352 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.07 -15.96 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.205 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.972 HD21 HD11 ' A' ' 515' ' ' LEU . 2.3 tt -58.06 -44.43 87.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.916 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER 56.49 56.35 8.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.285 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.846 ' CG ' HD21 ' B' ' 957' ' ' LEU . 73.3 Cg_endo -76.37 151.87 33.95 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.192 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.07 135.89 57.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.776 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.59 119.22 38.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -132.84 144.84 50.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.6 mtp -90.57 112.3 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.37 120.96 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.7 43.0 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 59.75 37.11 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.97 152.37 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.623 ' O ' HG22 ' A' ' 469' ' ' THR . 50.3 ttm -87.74 117.91 26.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -127.3 146.8 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.989 ' CE2' HG23 ' A' ' 470' ' ' THR . 91.8 m-85 -106.01 132.34 52.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.0 p -127.98 152.97 47.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.972 HD11 HD21 ' A' ' 500' ' ' LEU . 15.1 mt -133.87 144.71 49.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -132.01 94.92 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.899 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.2 96.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.14 -46.08 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -74.97 -27.15 60.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.51 ' HE2' ' HG3' ' A' ' 478' ' ' GLN . 40.7 ttm -56.99 -39.18 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.035 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.95 -44.97 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -58.5 -34.2 70.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.17 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.948 HD13 HD23 ' A' ' 474' ' ' LEU . 9.9 tp -71.21 -46.63 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.552 ' CA ' HG21 ' A' ' 470' ' ' THR . 0.9 OUTLIER -69.98 -32.02 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.27 90.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.34 -43.01 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.846 HD21 ' CG ' ' A' ' 502' ' ' PRO . 12.2 tp -69.0 -28.72 66.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -17.79 50.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.389 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.719 0.295 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 501' ' ' ASN . 1.7 mt -59.61 -39.53 84.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.965 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.835 0.35 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.51 129.63 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.5 m -128.86 143.65 50.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.499 ' HB2' HD11 ' A' ' 496' ' ' ILE . 83.9 tt0 -59.24 -37.67 78.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.555 ' H ' HG22 ' A' ' 455' ' ' THR . 90.1 m-20 -62.4 -41.95 99.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.7 78.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.639 ' O ' HD12 ' A' ' 463' ' ' LEU . 38.8 t -65.33 -37.73 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 464' ' ' THR . 49.6 ttt180 -58.33 -35.67 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -58.31 -37.67 75.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -67.7 -41.65 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.024 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 459' ' ' VAL . 5.2 mp -71.64 -43.0 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 460' ' ' ARG . 71.1 p -62.17 -26.08 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.071 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -74.13 -63.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -146.02 154.36 50.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 0.401 ' CB ' ' CD1' ' A' ' 507' ' ' ILE . 41.6 Cg_exo -56.87 133.6 59.05 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.583 2.189 . . . . 0.0 112.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -145.33 144.55 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 511' ' ' MET . 21.3 p -85.07 168.06 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.463 HG23 ' CE2' ' A' ' 513' ' ' PHE . 18.6 p -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.403 ' HG2' ' CB ' ' B' ' 950' ' ' ALA . 98.6 mttt -59.8 -36.73 77.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.67 -34.05 75.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 56.8 mt -78.02 -34.97 50.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.33 -40.38 36.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -29.83 63.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.159 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -62.63 -36.66 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.026 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.677 ' CD2' HG21 ' A' ' 482' ' ' THR . 4.3 m-85 -127.18 30.44 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -69.34 -47.33 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 63.8 p -139.14 27.72 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -97.44 147.88 23.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -64.84 109.78 2.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.677 HG21 ' CD2' ' A' ' 477' ' ' PHE . 2.2 p -150.63 23.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 81.23 -58.0 4.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 40.0 mt -81.31 142.78 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 3.1 p -81.2 179.32 7.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 490' ' ' VAL . 14.8 m -58.32 -40.71 82.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -46.21 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.549 ' O ' HG23 ' A' ' 492' ' ' VAL . 99.6 mm-40 -66.26 -35.17 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.595 ' O ' HD13 ' A' ' 493' ' ' LEU . 48.6 m -59.25 -46.02 89.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 486' ' ' SER . 33.9 t -64.42 -41.32 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -59.44 -44.82 92.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 488' ' ' GLN . 36.5 t -70.88 -49.79 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.205 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.623 ' HB3' HD11 ' B' ' 953' ' ' LEU . 8.6 mp -64.25 -35.5 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.77 88.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -75.17 -43.6 51.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 456' ' ' GLU . 5.2 tt -64.8 -44.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.892 ' O ' HD11 ' B' ' 957' ' ' LEU . 73.2 mt -71.63 -26.92 62.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.051 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' B' ' 957' ' ' LEU . 0.0 OUTLIER -47.43 -53.62 13.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.904 0.383 . . . . 0.0 111.366 -179.652 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -79.57 -15.23 58.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.687 HD22 HD23 ' A' ' 497' ' ' LEU . 44.6 tp -45.51 -55.15 6.53 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.486 ' HA ' HD23 ' B' ' 960' ' ' LEU . 54.4 t30 60.88 49.71 1.89 Allowed Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 110.871 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.66 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.5 Cg_endo -75.43 166.26 29.03 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.626 2.217 . . . . 0.0 112.37 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -90.98 141.52 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -108.07 130.94 55.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -131.7 144.49 51.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.0 mtp -85.36 105.14 15.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . 0.401 ' CD1' ' CB ' ' A' ' 467' ' ' PRO . 47.2 mt -118.1 123.54 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.78 41.83 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 59.19 33.52 22.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -142.86 153.16 42.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.563 ' O ' HG22 ' A' ' 469' ' ' THR . 59.9 ttp -84.77 126.15 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.493 ' CD2' HG23 ' A' ' 469' ' ' THR . 67.0 m80 -128.67 151.78 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.463 ' CE2' HG23 ' A' ' 470' ' ' THR . 24.1 m-85 -105.78 127.39 53.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 7.8 t -154.62 142.56 20.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -130.96 156.46 45.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.626 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -102.91 121.09 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.937 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.878 0.37 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.96 -43.37 95.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.64 -39.86 88.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.437 ' HE1' ' HB3' ' A' ' 486' ' ' SER . 98.2 mtp -62.0 -40.02 94.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.403 ' CB ' ' HG2' ' A' ' 471' ' ' LYS . . . -84.5 -28.36 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -56.65 -39.77 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -81.53 -42.26 20.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.764 HD21 HD13 ' A' ' 497' ' ' LEU . 9.5 tt -63.11 -41.96 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.449 ' HA ' HG21 ' A' ' 470' ' ' THR . 0.9 OUTLIER -68.88 -36.01 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.02 -30.96 72.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.55 -37.15 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.892 HD11 ' O ' ' A' ' 497' ' ' LEU . 5.2 mp -101.98 -9.96 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.495 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -57.82 -34.43 69.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.821 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -104.39 -21.63 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.155 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 501' ' ' ASN . 7.0 tp -54.13 -34.02 59.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.1 ttp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.895 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . 0.574 ' OE1' HG23 ' A' ' 455' ' ' THR . 1.3 tm0? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.41 ' H ' HG22 ' A' ' 454' ' ' VAL . 4.1 m -68.62 124.18 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.818 ' O ' HG23 ' A' ' 459' ' ' VAL . 23.4 p -131.38 152.76 50.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.648 ' N ' HD11 ' A' ' 496' ' ' ILE . 34.8 tt0 -65.95 -40.01 90.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -59.78 -42.39 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.02 78.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 455' ' ' THR . 39.6 t -61.4 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -61.52 -32.51 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.07 -39.57 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.433 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 95.3 m-85 -70.64 -44.27 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.719 HD22 HD12 ' A' ' 515' ' ' LEU . 4.9 mp -68.96 -34.79 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -60.68 -27.49 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -72.82 -59.63 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -146.07 158.32 48.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.8 136.81 73.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.504 2.136 . . . . 0.0 112.208 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.427 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 87.8 mtp -136.19 150.27 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.572 ' O ' HD12 ' A' ' 473' ' ' LEU . 28.4 p -98.17 162.85 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.906 HG23 ' CE1' ' A' ' 513' ' ' PHE . 39.4 p -55.25 -45.3 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -62.21 -38.14 88.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . 0.427 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 52.5 t0 -60.97 -39.85 91.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 469' ' ' THR . 4.5 mp -64.95 -40.82 95.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 474' ' ' LEU . 0.4 OUTLIER -66.62 -42.29 87.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -62.19 -30.3 70.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 477' ' ' PHE . 49.0 tptt -56.81 -31.03 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 476' ' ' LYS . 98.3 m-85 -148.0 42.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.47 HE22 ' HB1' ' B' ' 946' ' ' ALA . 51.3 tt0 -73.63 -69.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 59.3 p -114.25 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.236 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -90.65 147.98 22.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -69.4 101.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 72.4 p -130.17 6.71 4.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.319 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 94.67 -27.26 14.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 55.3 mt -108.08 145.47 34.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.347 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 m -64.02 160.3 18.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 4.6 t -58.62 -38.59 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.84 -33.8 75.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.5 ' O ' HD13 ' A' ' 493' ' ' LEU . 47.7 m -58.94 -40.86 85.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.53 HG22 HD21 ' A' ' 474' ' ' LEU . 28.6 t -61.45 -41.02 88.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -60.77 -46.25 91.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.6 t -69.17 -50.09 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 489' ' ' THR . 11.0 mp -62.7 -31.1 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.737 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -65.86 -41.19 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -77.46 -43.49 32.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.648 HD11 ' N ' ' A' ' 456' ' ' GLU . 5.8 tt -61.55 -44.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.071 0.462 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.856 HD13 HD21 ' B' ' 953' ' ' LEU . 3.1 mt -61.2 -40.77 95.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.63 ' O ' HD12 ' B' ' 960' ' ' LEU . 1.3 mtpt -47.66 -46.88 29.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 0.0 111.414 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -79.92 -15.76 56.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.677 0.275 . . . . 0.0 111.368 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 515' ' ' LEU . 30.5 tp -47.93 -36.48 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.869 ' HA ' HD11 ' B' ' 960' ' ' LEU . 2.1 m-80 48.87 47.63 5.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.361 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.806 ' HG3' HD23 ' A' ' 500' ' ' LEU . 92.0 Cg_endo -79.15 176.97 9.18 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.342 2.028 . . . . 0.0 112.461 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -108.28 142.3 38.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -96.7 126.19 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.988 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -133.39 136.98 45.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.4 ttm -95.82 111.03 23.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . 0.548 HG22 HD22 ' A' ' 508' ' ' ASN . 41.4 mt -119.27 119.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . 0.548 HD22 HG22 ' A' ' 507' ' ' ILE . 2.9 m-80 57.69 43.32 22.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 61.4 36.86 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -138.88 151.69 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.558 ' O ' HG22 ' A' ' 469' ' ' THR . 63.6 mtt -85.35 125.42 32.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -132.28 146.25 51.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.906 ' CE1' HG23 ' A' ' 470' ' ' THR . 81.4 m-85 -111.17 138.96 46.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.8 p -121.46 156.38 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 500' ' ' LEU . 0.3 OUTLIER -146.89 141.61 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -131.99 119.34 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.923 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.759 0.314 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . 0.47 ' HB1' HE22 ' A' ' 478' ' ' GLN . . . -63.55 -43.23 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.46 -40.03 89.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.21 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.9 -39.33 88.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.66 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -58.45 -42.95 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.48 88.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.856 HD21 HD13 ' A' ' 497' ' ' LEU . 10.4 tt -63.32 -37.76 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.632 ' HG2' HG21 ' A' ' 470' ' ' THR . 97.7 mt-10 -62.75 -44.49 96.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.383 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . 0.737 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 75.2 mm-40 -63.91 -39.58 94.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 1.062 HD11 HD13 ' B' ' 960' ' ' LEU . 9.4 tp -101.03 -9.63 21.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.83 -41.56 67.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -68.41 -33.87 75.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 1.062 HD13 HD11 ' B' ' 957' ' ' LEU . 9.0 tt -59.41 -33.54 71.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . 0.529 ' OXT' HD23 ' B' ' 960' ' ' LEU . 3.9 tpp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.868 0.366 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.97 133.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 41.3 p -126.21 154.97 42.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.869 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.1 tt0 -65.77 -34.99 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -58.15 -35.48 71.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.67 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.461 HG13 HD22 ' A' ' 473' ' ' LEU . 29.1 t -61.14 -41.67 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.694 ' HG3' HD13 ' A' ' 515' ' ' LEU . 56.0 ttm-85 -58.9 -39.65 82.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.82 -35.72 79.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -66.73 -44.74 80.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.063 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 515' ' ' LEU . 89.6 mt -66.2 -37.01 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -30.89 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -82.62 -56.55 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -146.05 146.78 29.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -55.93 143.28 82.86 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.564 2.176 . . . . 0.0 112.25 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 92.0 mmm -137.27 166.05 24.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.45 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.9 p -114.8 166.55 11.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.592 ' HB ' HD22 ' B' ' 953' ' ' LEU . 20.2 p -59.27 -46.4 88.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -60.71 -36.84 79.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.36 -35.23 78.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 497' ' ' LEU . 73.5 mt -58.44 -45.14 89.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.792 HD22 ' HE1' ' B' ' 949' ' ' MET . 88.2 mt -67.61 -34.91 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -60.28 -37.93 81.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.5 -36.39 75.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.71 66.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 479' ' ' THR . 48.8 tt0 -66.61 -50.42 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.7 OUTLIER -171.07 62.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.08 -74.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -154.39 28.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -65.65 -29.52 70.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.86 -27.81 18.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.56 142.18 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.822 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 46.0 m -62.29 166.22 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 490' ' ' VAL . 30.3 m -56.63 -39.49 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.0 -42.66 94.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.95 -37.69 84.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 33.7 m -59.84 -36.9 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 486' ' ' SER . 40.9 t -60.86 -36.52 72.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -58.75 -46.3 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.08 -46.13 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.779 HD12 HD11 ' B' ' 953' ' ' LEU . 0.2 OUTLIER -64.72 -30.15 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.99 -37.57 69.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -77.45 -42.41 36.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.869 HD11 ' N ' ' A' ' 456' ' ' GLU . 5.9 tt -59.89 -44.57 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.839 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' B' ' 953' ' ' LEU . 9.7 mt -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.958 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' B' ' 960' ' ' LEU . 16.3 tptt -47.71 -45.19 28.35 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 120.892 0.377 . . . . 0.0 111.242 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -80.13 -15.99 55.9 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.389 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.592 ' CD2' HD23 ' A' ' 497' ' ' LEU . 13.6 tp -56.08 -55.0 38.24 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.9 ' HA ' HD21 ' B' ' 960' ' ' LEU . 2.3 t-20 61.41 53.29 2.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.62 ' CD ' HD21 ' B' ' 957' ' ' LEU . 15.2 Cg_exo -68.12 176.01 5.96 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.407 2.071 . . . . 0.0 112.289 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -111.71 130.44 55.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -68.42 138.59 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . 0.798 ' HD2' HD11 ' A' ' 507' ' ' ILE . 24.8 ttmt -151.01 122.12 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.794 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.6 mtp -85.55 107.48 17.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . 0.798 HD11 ' HD2' ' A' ' 505' ' ' LYS . 46.1 mt -125.53 126.84 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 58.15 41.21 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 58.34 38.79 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 6.9 ttpm? -145.73 155.18 42.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.7 ttp -82.67 128.54 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.45 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 67.2 m80 -134.34 157.57 46.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -111.76 138.17 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.9 p -131.63 147.78 52.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.694 HD13 ' HG3' ' A' ' 460' ' ' ARG . 19.6 mt -122.16 145.4 48.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -125.22 94.81 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.403 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.3 63.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.07 -43.05 99.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.45 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.792 ' HE1' HD22 ' A' ' 474' ' ' LEU . 15.9 ttt -60.47 -41.96 95.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.97 -29.43 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -58.01 -48.03 81.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . 0.411 ' HB3' HG11 ' A' ' 490' ' ' VAL . . . -67.74 -40.34 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.779 HD11 HD12 ' A' ' 493' ' ' LEU . 7.9 tt -61.41 -55.72 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.483 ' CB ' HG21 ' A' ' 470' ' ' THR . 34.1 tt0 -63.49 -34.78 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.58 -47.59 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.192 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.895 HD11 HD13 ' B' ' 960' ' ' LEU . 10.5 tp -84.49 -9.68 58.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.46 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -53.85 -47.89 70.53 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.9 -32.43 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.524 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.9 HD21 ' HA ' ' A' ' 501' ' ' ASN . 1.2 tt -63.8 -34.92 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.754 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.897 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.817 0.341 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.41 HG11 HD21 ' A' ' 493' ' ' LEU . 21.9 t -107.9 133.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 459' ' ' VAL . 51.7 m -123.97 135.93 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.436 ' HG3' HG23 ' A' ' 496' ' ' ILE . 84.4 tt0 -62.11 -38.35 88.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 455' ' ' THR . 92.7 m-20 -59.95 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.37 94.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 455' ' ' THR . 39.0 t -64.23 -41.68 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 464' ' ' THR . 14.9 ttp-105 -59.13 -38.1 78.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.12 -42.65 86.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -68.02 -44.63 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.648 HD21 HD21 ' A' ' 473' ' ' LEU . 39.1 mt -68.9 -37.18 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 460' ' ' ARG . 17.9 p -67.69 -32.16 72.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -53.07 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.02 138.06 13.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.47 131.75 19.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.525 2.15 . . . . 0.0 112.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.685 ' SD ' HD23 ' A' ' 473' ' ' LEU . 8.2 ptp -132.52 156.9 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.656 HG22 ' CD2' ' A' ' 512' ' ' HIS . 21.5 p -75.17 165.5 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.606 HG21 ' HG2' ' B' ' 954' ' ' GLU . 32.1 p -58.33 -43.89 88.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.71 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 91.8 mttt -57.51 -40.65 79.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -63.13 -34.52 77.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.705 HD13 HD21 ' A' ' 497' ' ' LEU . 55.9 mt -60.09 -43.5 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.64 -47.58 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . 0.577 ' HA ' HG23 ' A' ' 479' ' ' THR . 37.5 tttp -55.86 -35.42 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.419 ' HG2' ' CE2' ' A' ' 477' ' ' PHE . 3.5 ttmm -64.89 -33.0 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.419 ' CE2' ' HG2' ' A' ' 476' ' ' LYS . 76.9 m-85 -146.24 71.16 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.135 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -177.24 -59.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 475' ' ' LYS . 60.0 p -60.18 -30.35 69.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -77.24 163.22 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -63.6 82.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 38.8 p -94.77 -28.34 15.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 102.57 -26.65 23.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -94.07 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.4 m -60.85 151.78 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 490' ' ' VAL . 59.5 p -61.95 -34.88 76.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -65.38 -44.06 88.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 492' ' ' VAL . 99.6 mm-40 -65.43 -36.78 84.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.492 ' O ' HD23 ' A' ' 493' ' ' LEU . 38.5 m -60.05 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 486' ' ' SER . 38.4 t -62.76 -44.0 99.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.23 -45.23 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 488' ' ' GLN . 37.3 t -71.18 -46.8 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 489' ' ' THR . 4.1 mm? -65.75 -35.3 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.68 -41.76 98.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.202 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.49 -38.07 86.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.2 OUTLIER -77.99 -51.13 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.991 HD13 HD21 ' B' ' 953' ' ' LEU . 8.6 mt -59.08 -57.01 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.748 ' O ' HD11 ' B' ' 960' ' ' LEU . 0.0 OUTLIER -48.06 -32.36 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.061 -179.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . 0.498 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 38.4 tpt85 -79.76 -25.91 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.468 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 497' ' ' LEU . 4.9 mt -55.91 -43.82 77.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.955 ' HA ' HD13 ' B' ' 960' ' ' LEU . 7.2 t-20 58.18 51.73 4.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.813 0.34 . . . . 0.0 110.716 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.761 ' HD2' HD22 ' B' ' 957' ' ' LEU . 60.3 Cg_endo -71.96 153.17 58.05 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.696 2.264 . . . . 0.0 112.43 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.98 143.26 55.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.51 117.5 31.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -134.11 140.84 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.5 mtp -100.31 115.52 30.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.3 mt -121.19 125.01 73.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.76 42.13 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 58.97 39.67 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.09 148.24 36.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -76.97 119.12 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.656 ' CD2' HG22 ' A' ' 469' ' ' THR . 47.5 m80 -129.52 144.38 51.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 98.1 m-85 -107.94 132.6 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.7 m -123.72 146.87 47.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.593 HD12 HD13 ' A' ' 463' ' ' LEU . 6.1 mt -131.78 141.07 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -124.96 95.01 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.947 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.94 87.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.76 -35.94 77.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.67 -39.44 84.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 66.1 mtm -63.62 -37.38 87.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.71 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -67.71 -43.02 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -59.1 -41.04 87.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.99 63.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.991 HD21 HD13 ' A' ' 497' ' ' LEU . 7.4 tt -66.42 -40.35 89.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.606 ' HG2' HG21 ' A' ' 470' ' ' THR . 46.0 mt-10 -66.07 -39.72 90.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.75 71.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -64.5 -49.58 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.828 HD23 ' CD1' ' B' ' 960' ' ' LEU . 4.2 mt -69.8 -28.5 65.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.12 -16.36 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.394 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.81 -32.77 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 111.092 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.955 HD13 ' HA ' ' A' ' 501' ' ' ASN . 1.7 mt -58.88 -34.81 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.869 0.366 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 459' ' ' VAL . 48.8 m -129.15 140.85 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.489 ' HB2' HD13 ' A' ' 496' ' ' ILE . 84.4 tt0 -60.18 -38.32 82.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.514 ' H ' HG22 ' A' ' 455' ' ' THR . 49.7 t0 -60.27 -40.95 92.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.31 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.651 ' O ' HD12 ' A' ' 463' ' ' LEU . 39.7 t -61.46 -42.86 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.66 -36.0 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -58.74 -40.27 83.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -68.46 -44.47 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 459' ' ' VAL . 1.0 OUTLIER -65.94 -35.23 80.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.8 p -68.49 -30.03 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -79.34 -60.44 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -145.98 141.38 16.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 0.414 ' HG3' HD11 ' A' ' 507' ' ' ILE . 35.9 Cg_endo -65.04 139.02 59.4 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 76.3 mtp -138.35 152.94 48.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.871 HG23 ' CD2' ' A' ' 512' ' ' HIS . 7.0 p -81.21 162.82 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.722 HG21 ' HB3' ' B' ' 954' ' ' GLU . 37.2 p -57.07 -44.37 83.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.423 ' CB ' ' HB2' ' B' ' 950' ' ' ALA . 37.1 ttmt -58.21 -45.78 87.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.72 -37.05 82.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.01 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.678 HD13 HD11 ' A' ' 497' ' ' LEU . 86.8 mt -65.04 -43.66 91.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 1.04 HD21 HG22 ' A' ' 490' ' ' VAL . 28.2 tp -65.93 -50.54 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.998 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -32.03 68.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -61.23 -37.14 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.757 ' O ' HG21 ' A' ' 482' ' ' THR . 98.7 m-85 -118.44 25.24 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.227 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.521 ' HA ' HG21 ' A' ' 489' ' ' THR . 5.6 tm0? -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 69.0 p -93.97 20.19 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.253 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -95.58 -69.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.49 37.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.757 HG21 ' O ' ' A' ' 477' ' ' PHE . 82.3 p -77.74 129.33 35.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -60.94 -22.71 60.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.7 mm? -80.01 148.81 30.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 29.6 t -62.11 164.58 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.1 p -58.98 -39.69 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.07 -43.2 71.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -66.1 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.549 HG22 HD13 ' A' ' 493' ' ' LEU . 24.3 m -59.45 -41.47 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 1.04 HG22 HD21 ' A' ' 474' ' ' LEU . 25.4 t -62.88 -42.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -57.7 -39.16 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.8 t -73.41 -54.71 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.285 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 497' ' ' LEU . 2.2 mp -62.94 -45.93 90.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.442 ' HB1' ' CD ' ' B' ' 956' ' ' GLU . . . -56.85 -40.18 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.416 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -59.9 -42.04 92.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 456' ' ' GLU . 0.8 OUTLIER -78.26 -42.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.34 179.553 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.94 HD13 HD12 ' A' ' 500' ' ' LEU . 4.0 mm? -56.52 -39.94 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.271 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.86 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.0 OUTLIER -65.35 -38.82 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.041 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . 0.543 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 76.1 ttt-85 -80.08 -15.94 56.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.571 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.94 HD12 HD13 ' A' ' 497' ' ' LEU . 14.1 mt -53.79 -37.73 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.938 ' HA ' HD21 ' B' ' 960' ' ' LEU . 2.6 m120 59.15 46.16 1.41 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.692 0.282 . . . . 0.0 110.738 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 73.4 Cg_endo -73.65 -178.07 3.51 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.49 2.127 . . . . 0.0 112.392 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.41 160.3 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -107.03 127.41 53.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -132.82 143.75 49.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.17 107.05 18.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . 0.414 HD11 ' HG3' ' A' ' 467' ' ' PRO . 43.5 mt -122.27 125.25 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.7 m120 57.96 41.81 23.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 58.87 35.91 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -140.55 153.51 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.729 ' O ' HG22 ' A' ' 469' ' ' THR . 64.9 mtt -85.13 122.44 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.871 ' CD2' HG23 ' A' ' 469' ' ' THR . 66.6 m80 -127.73 162.45 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.517 ' CE2' HG23 ' A' ' 470' ' ' THR . 42.9 m-85 -112.22 142.1 45.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.2 t -144.08 143.49 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.37 123.54 28.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -107.39 130.32 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.849 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.855 0.359 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.17 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.84 -40.69 89.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.96 -33.72 73.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.678 ' HB3' HD23 ' A' ' 474' ' ' LEU . 99.1 mtp -59.4 -36.83 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 471' ' ' LYS . . . -86.07 -41.04 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.314 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 57.5 mtmt -57.25 -36.77 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.165 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.43 75.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 0.667 HD21 ' HG ' ' A' ' 497' ' ' LEU . 8.3 tt -66.2 -44.48 83.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.164 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.722 ' HB3' HG21 ' A' ' 470' ' ' THR . 13.7 pt-20 -74.77 -29.34 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -59.73 -34.7 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.324 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . 0.442 ' CD ' ' HB1' ' A' ' 494' ' ' ALA . 78.6 mt-10 -73.53 -49.29 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.19 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.785 ' CD2' HD22 ' B' ' 960' ' ' LEU . 5.8 mt -60.43 -26.28 66.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.49 -40.38 78.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -67.87 -48.15 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.938 HD21 ' HA ' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -68.44 -33.49 74.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.53 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.8 ttp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.919 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.754 0.311 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.92 138.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 457' ' ' ASP . 48.3 m -122.46 144.42 49.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -36.93 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.557 ' H ' HG22 ' A' ' 455' ' ' THR . 21.5 t70 -59.29 -37.3 77.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.723 HG11 HD21 ' A' ' 497' ' ' LEU . 33.5 t -63.4 -42.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -59.88 -35.63 75.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.32 -39.7 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.47 -42.11 75.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.51 -35.96 81.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -30.38 71.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -75.47 -65.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 467' ' ' PRO . 0.0 OUTLIER -146.1 140.42 15.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.872 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 466' ' ' LYS . 38.0 Cg_exo -57.04 130.85 41.89 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.453 2.102 . . . . 0.0 112.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.746 ' HE3' HD23 ' A' ' 473' ' ' LEU . 46.0 mtm -138.84 148.68 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 472' ' ' ASP . 6.2 t -83.55 164.88 19.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.641 HG21 ' HA ' ' B' ' 954' ' ' GLU . 36.7 p -52.71 -44.84 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' B' ' 950' ' ' ALA . 45.4 tttm -58.73 -47.61 84.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . 0.537 ' H ' HG23 ' A' ' 469' ' ' THR . 96.0 m-20 -61.65 -36.96 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.013 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.746 HD23 ' HE3' ' A' ' 468' ' ' MET . 88.7 mt -61.63 -41.97 98.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.706 HD22 ' CE ' ' B' ' 949' ' ' MET . 10.2 mt -68.62 -35.35 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -60.57 -41.28 94.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -63.01 -35.3 79.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CE2' HG22 ' A' ' 482' ' ' THR . 0.3 OUTLIER -132.44 55.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.781 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.401 ' O ' ' HB ' ' A' ' 479' ' ' THR . 31.8 tt0 -60.8 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 478' ' ' GLN . 3.9 t 178.89 39.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -109.13 23.03 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.906 HG22 ' CE2' ' A' ' 477' ' ' PHE . 71.3 p -77.16 -38.25 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 95.62 -27.41 15.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.3 mt -108.12 155.41 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.2 t -59.5 165.67 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 490' ' ' VAL . 89.6 p -59.18 -31.65 69.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.76 -46.08 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.791 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.46 -37.28 80.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 493' ' ' LEU . 24.5 m -59.59 -40.81 88.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 486' ' ' SER . 38.9 t -67.29 -33.8 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.98 -58.1 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 495' ' ' GLN . 26.3 t -65.42 -28.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.182 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.699 ' HB3' HD11 ' B' ' 953' ' ' LEU . 16.5 mt -75.18 -38.47 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.586 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . 0.775 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -62.91 -43.26 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 492' ' ' VAL . 0.4 OUTLIER -72.55 -46.69 53.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.02 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.4 tt -63.01 -44.55 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 1.056 HD13 HD21 ' B' ' 953' ' ' LEU . 12.2 mt -70.39 -26.99 63.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . 0.726 ' O ' HD13 ' B' ' 960' ' ' LEU . 14.5 tptp -56.47 -51.06 69.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -79.17 -15.03 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.611 HD22 HD23 ' A' ' 497' ' ' LEU . 39.7 tp -45.33 -41.41 8.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.621 ' HA ' HD21 ' B' ' 960' ' ' LEU . 11.0 t-20 56.44 49.19 4.02 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.774 0.321 . . . . 0.0 110.965 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.726 ' HG3' HD21 ' B' ' 957' ' ' LEU . 71.7 Cg_endo -75.66 -168.31 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.692 2.261 . . . . 0.0 112.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -108.53 161.64 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.588 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -118.83 131.5 56.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -139.88 139.39 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.8 ptp -92.06 99.73 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 40.0 mt -116.82 128.32 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.98 42.3 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 59.26 31.09 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -141.71 151.31 42.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 9.9 mtt -84.66 119.41 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -115.77 166.5 11.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.515 ' CE2' HG23 ' A' ' 470' ' ' THR . 29.9 m-85 -110.77 139.18 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.9 p -140.79 155.17 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.3 110.19 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -92.86 132.68 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.943 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.93 96.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.17 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.87 -30.95 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 949' ' ' MET . . . . . 0.706 ' CE ' HD22 ' A' ' 474' ' ' LEU . 22.9 ttt -58.37 -38.56 77.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 950' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 471' ' ' LYS . . . -86.11 -46.63 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.408 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -57.22 -39.37 75.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.94 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 953' ' ' LEU . . . . . 1.056 HD21 HD13 ' A' ' 497' ' ' LEU . 9.3 tt -67.32 -40.4 85.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 954' ' ' GLU . . . . . 0.641 ' HA ' HG21 ' A' ' 470' ' ' THR . 71.2 tt0 -63.21 -45.35 92.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -56.79 -28.35 61.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.44 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 956' ' ' GLU . . . . . 0.775 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.6 mm-40 -73.11 -63.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.111 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 957' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 497' ' ' LEU . 8.2 tp -63.6 -29.04 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.185 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.24 -31.16 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -67.87 -37.65 82.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 960' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 498' ' ' LYS . 0.4 OUTLIER -72.61 -30.42 64.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.437 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.7 t0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.848 0.356 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.3 t -116.65 132.59 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -125.82 151.81 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 493' ' ' LEU . 21.9 t -111.03 130.8 63.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.74 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.2 t -138.71 156.89 47.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -60.73 -39.18 87.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.89 -38.55 82.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.74 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.91 -45.61 85.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.56 HG11 HD21 ' A' ' 497' ' ' LEU . 38.7 t -64.6 -46.42 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.1 -32.52 73.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -42.69 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.037 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.3 m-85 -66.07 -44.99 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.463 ' HB2' HD12 ' A' ' 515' ' ' LEU . 74.6 mt -65.31 -36.38 83.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.99 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.4 p -67.99 -33.76 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.13 -52.21 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.11 138.78 13.96 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.68 135.36 48.45 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.483 2.122 . . . . 0.0 112.17 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 82.6 mtp -136.71 167.27 21.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.022 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.3 p -105.62 164.77 11.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.922 HG23 ' CE2' ' A' ' 513' ' ' PHE . 23.2 p -58.16 -43.01 87.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -61.63 -40.83 96.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -67.62 -40.34 84.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.58 -44.64 93.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.74 ' O ' HD23 ' A' ' 474' ' ' LEU . 5.7 tt -66.34 -36.65 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.8 -30.27 68.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -57.21 -38.95 74.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.184 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.11 30.39 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.077 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.707 ' O ' HG23 ' A' ' 479' ' ' THR . 48.9 tt0 -63.91 -49.07 74.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.8 OUTLIER -169.75 33.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -64.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -130.78 -44.44 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.596 ' HB ' HD23 ' A' ' 484' ' ' LEU . 26.9 p -56.15 118.74 4.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . 0.419 ' C ' HD22 ' A' ' 484' ' ' LEU . . . -84.64 54.94 4.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.58 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.596 HD23 ' HB ' ' A' ' 482' ' ' THR . 3.0 mm? -104.42 145.07 30.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.787 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 t -59.81 153.63 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.637 ' O ' HG23 ' A' ' 490' ' ' VAL . 20.5 m -57.9 -41.8 83.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -71.07 -39.92 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.843 ' O ' HG23 ' A' ' 492' ' ' VAL . 66.0 mt-30 -64.98 -42.44 94.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 6.5 m -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 486' ' ' SER . 25.6 t -72.99 -39.7 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.5 -44.05 93.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 488' ' ' GLN . 30.1 t -63.56 -53.37 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.176 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.735 HD21 HG11 ' A' ' 454' ' ' VAL . 4.0 mm? -67.79 -30.81 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.578 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -64.99 -47.82 76.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.222 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.75 -38.12 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.08 -50.13 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.962 HD12 HD11 ' B' ' 953' ' ' LEU . 52.5 mt -64.85 -49.18 71.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.304 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.757 ' O ' HD23 ' B' ' 960' ' ' LEU . 4.4 tptm -47.66 -40.36 19.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 111.279 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -80.32 -15.84 55.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.784 0.326 . . . . 0.0 111.42 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.769 HD23 ' HG3' ' A' ' 502' ' ' PRO . 28.4 tp -56.35 -37.26 69.78 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.732 ' HA ' HD22 ' B' ' 960' ' ' LEU . 8.9 p30 44.65 49.17 5.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 120.707 0.289 . . . . 0.0 111.33 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.769 ' HG3' HD23 ' A' ' 500' ' ' LEU . 71.6 Cg_endo -75.83 -168.39 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.43 2.087 . . . . 0.0 112.405 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -109.06 155.96 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -114.0 137.55 51.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.019 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -130.95 145.96 52.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.7 mtm -87.94 101.4 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.6 mt -118.42 121.72 67.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 25.3 t30 57.09 42.68 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 60.33 36.43 20.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.81 156.12 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 23.7 ptm -87.34 130.79 34.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -129.8 162.91 27.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.922 ' CE2' HG23 ' A' ' 470' ' ' THR . 97.0 m-85 -106.9 131.61 53.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.8 p -133.54 147.09 51.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.463 HD12 ' HB2' ' A' ' 463' ' ' LEU . 19.4 mt -132.88 136.43 46.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -127.04 94.93 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.867 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 86.9 p -61.15 -30.65 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 95.2 p -133.49 156.32 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 10.9 t -165.7 -66.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -60.1 -36.04 76.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.29 94.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -60.53 -40.73 92.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.66 -30.31 71.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.526 ' HE3' ' HA ' ' A' ' 486' ' ' SER . 28.1 ttt -56.77 -35.82 69.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.99 -28.44 24.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.301 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -57.44 -36.28 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.09 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . 0.495 ' HB3' HG11 ' A' ' 490' ' ' VAL . . . -59.83 -40.48 88.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.139 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 497' ' ' LEU . 20.8 tp -65.76 -43.99 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.987 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.41 -33.72 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.062 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -59.38 -32.48 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.248 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . 0.578 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.1 mm-40 -71.13 -61.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 1.028 HD23 HD21 ' B' ' 960' ' ' LEU . 27.2 mt -60.46 -19.62 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.333 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -55.37 -27.87 50.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.817 0.341 . . . . 0.0 111.091 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -68.02 -63.39 1.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.128 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 1.028 HD21 HD23 ' B' ' 957' ' ' LEU . 3.9 pp -56.65 -27.56 58.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.129 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . 0.64 ' N ' HD12 ' B' ' 960' ' ' LEU . 43.9 mtt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.1 t0 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.866 0.365 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -115.28 134.27 58.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -125.16 161.66 26.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.3 134.47 45.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.549 HG22 ' H ' ' A' ' 457' ' ' ASP . 42.6 m -97.32 137.65 36.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.59 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.5 tt0 -59.52 -35.43 74.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.549 ' H ' HG22 ' A' ' 455' ' ' THR . 92.1 m-20 -59.64 -38.0 80.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.35 -48.86 76.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.737 HG13 HD23 ' A' ' 473' ' ' LEU . 25.7 t -66.34 -45.83 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.68 ' HG3' HD13 ' A' ' 515' ' ' LEU . 60.8 ttp180 -60.45 -37.5 81.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -57.68 -40.53 79.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 72.7 m-85 -66.55 -47.72 71.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.04 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.653 HD21 HD11 ' A' ' 473' ' ' LEU . 73.0 mt -67.62 -39.28 84.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.967 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 17.3 p -66.65 -31.7 72.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -77.27 -50.01 13.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.08 145.57 25.07 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.889 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.36 122.13 7.71 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.525 2.15 . . . . 0.0 112.339 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 66.5 mtm -136.33 160.1 39.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.761 HG22 ' O ' ' A' ' 511' ' ' MET . 22.2 p -87.49 167.06 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.867 HG23 ' CE1' ' A' ' 513' ' ' PHE . 32.7 p -54.89 -44.04 73.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.628 ' HA ' ' HB2' ' B' ' 950' ' ' ALA . 36.6 mttm -57.28 -40.45 77.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -61.94 -41.37 97.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.737 HD23 HG13 ' A' ' 459' ' ' VAL . 4.3 mp -66.35 -43.48 85.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.692 HD11 HG22 ' A' ' 490' ' ' VAL . 4.3 mm? -62.42 -44.84 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.096 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -54.97 -35.75 64.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -60.69 -38.93 86.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.039 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -122.6 32.87 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.717 ' O ' HG23 ' A' ' 479' ' ' THR . 51.1 tt0 -60.16 -44.65 94.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.7 OUTLIER -170.62 34.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -61.13 -68.41 0.31 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.57 29.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 70.3 p -78.32 -29.41 47.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 74.28 17.31 79.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.609 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 mt -120.02 144.56 47.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.0 t -65.76 167.17 9.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.794 ' O ' HG23 ' A' ' 490' ' ' VAL . 10.2 t -56.83 -40.38 75.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -69.05 -42.22 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.8 -43.58 83.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 31.6 m -62.27 -44.79 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 486' ' ' SER . 40.2 t -71.36 -33.17 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.21 -44.17 88.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 31.2 t -73.29 -49.65 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.207 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 497' ' ' LEU . 19.4 mt -63.34 -36.84 85.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.43 -46.09 87.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.65 -41.28 68.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.24 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 456' ' ' GLU . 5.3 tt -67.63 -44.29 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.095 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.848 ' O ' HD21 ' B' ' 957' ' ' LEU . 5.9 mt -72.41 -36.53 68.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.847 ' O ' HD11 ' B' ' 960' ' ' LEU . 4.2 tmtt? -47.63 -45.06 27.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 111.315 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -79.3 -16.0 57.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.401 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 1.007 HD21 HD11 ' A' ' 515' ' ' LEU . 26.8 tp -55.23 -41.29 71.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.692 0.282 . . . . 0.0 111.645 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.772 ' CB ' HD22 ' B' ' 960' ' ' LEU . 15.9 t-20 55.04 51.56 7.37 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.037 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.77 ' HD2' HD22 ' B' ' 957' ' ' LEU . 72.0 Cg_endo -76.43 170.55 19.75 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.574 2.182 . . . . 0.0 112.381 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.28 160.78 19.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.76 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -128.32 129.72 46.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.77 148.46 51.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 21.9 ttt -88.95 107.67 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.428 ' HB ' ' CE1' ' A' ' 512' ' ' HIS . 33.2 mm -116.61 115.88 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 36.5 t30 55.6 46.49 22.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 61.06 36.61 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -144.64 156.2 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.761 ' O ' HG22 ' A' ' 469' ' ' THR . 75.8 mtm -87.64 126.63 35.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.428 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 4.3 m80 -121.23 150.76 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.867 ' CE1' HG23 ' A' ' 470' ' ' THR . 81.8 m-85 -107.06 127.57 53.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 22.7 t -133.03 142.54 48.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 1.007 HD11 HD21 ' A' ' 500' ' ' LEU . 5.4 mt -125.22 141.12 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -114.66 94.98 5.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.867 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.091 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 43.3 m -62.78 154.2 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 95.6 p -124.1 153.05 42.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 10.8 t -172.2 -52.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.98 -34.19 75.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.09 -44.82 94.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.47 -37.36 87.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.37 -31.43 72.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.785 ' HA ' HG21 ' A' ' 490' ' ' VAL . 36.5 mtp -58.47 -48.47 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 471' ' ' LYS . . . -86.11 -32.65 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.249 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -57.53 -50.1 74.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.013 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.67 -31.9 67.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.639 HD11 ' CD1' ' A' ' 497' ' ' LEU . 4.6 tp -63.65 -44.59 93.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.411 ' HB2' HG21 ' A' ' 470' ' ' THR . 84.7 tt0 -71.73 -31.87 67.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.11 88.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -68.68 -40.66 79.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.848 HD21 ' O ' ' A' ' 497' ' ' LEU . 10.1 mt -75.48 -24.28 56.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -61.48 -17.35 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.71 -47.79 68.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.697 0.284 . . . . 0.0 111.291 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 498' ' ' LYS . 0.5 OUTLIER -60.35 -35.25 75.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.93 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.626 ' O ' HG22 ' A' ' 482' ' ' THR . 14.5 p -107.49 138.38 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -126.07 164.95 19.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.426 HG22 ' CE1' ' A' ' 477' ' ' PHE . 29.2 t -96.91 132.21 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.045 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 459' ' ' VAL . 17.2 p -124.3 155.08 39.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.514 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.5 tt0 -65.89 -41.12 91.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -61.82 -40.35 94.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.82 -45.77 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.64 HG13 HD21 ' A' ' 473' ' ' LEU . 39.5 t -67.63 -37.72 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.901 ' O ' HG23 ' A' ' 464' ' ' THR . 61.6 ttp180 -58.18 -39.38 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -58.2 -34.88 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -64.44 -42.79 95.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.9 mt -69.69 -37.83 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 460' ' ' ARG . 15.9 p -61.16 -33.21 73.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -79.35 -61.56 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.0 150.23 41.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 0.413 ' HB2' HD11 ' A' ' 507' ' ' ILE . 37.3 Cg_endo -66.05 129.17 21.2 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.197 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.453 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 76.5 mtp -137.29 158.84 43.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.402 ' O ' HD12 ' A' ' 473' ' ' LEU . 1.3 t -101.75 159.41 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.781 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.563 ' CG2' HD22 ' B' ' 953' ' ' LEU . 35.8 p -55.67 -44.11 76.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.423 ' HB2' ' HB1' ' B' ' 950' ' ' ALA . 86.6 tttt -56.58 -38.12 71.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . 0.453 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 50.3 t0 -61.08 -37.19 81.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.64 HD21 HG13 ' A' ' 459' ' ' VAL . 6.8 mp -66.95 -40.62 87.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.682 HD13 ' HG2' ' B' ' 949' ' ' MET . 40.0 mt -59.37 -40.05 85.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.998 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.89 -37.04 83.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -62.12 -39.4 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.426 ' CE1' HG22 ' A' ' 454' ' ' VAL . 96.3 m-85 -87.78 -72.13 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 58.48 52.54 6.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 11.6 p 55.24 45.36 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.196 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 482' ' ' THR . 47.9 tttp -98.06 118.69 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.94 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . 0.507 ' C ' HG23 ' A' ' 482' ' ' THR . 0.0 OUTLIER 53.42 -160.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.777 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 452' ' ' VAL . 1.3 p 72.29 -59.95 0.54 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.148 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . 0.513 ' C ' HD22 ' A' ' 484' ' ' LEU . . . 106.12 20.87 8.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.643 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 484' ' ' LEU . 3.1 mm? -110.05 134.52 52.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 65.0 p -68.0 167.92 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.789 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 490' ' ' VAL . 24.7 m -56.68 -41.41 77.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -68.85 -41.48 78.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.42 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.591 HG22 HD12 ' A' ' 493' ' ' LEU . 38.3 m -59.62 -41.21 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 486' ' ' SER . 31.6 t -64.85 -35.9 76.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -59.04 -45.99 89.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.5 t -70.45 -49.98 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.693 ' HB3' HD11 ' B' ' 953' ' ' LEU . 18.1 mt -62.83 -39.5 94.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.429 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -62.84 -46.01 89.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -70.76 -40.4 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 456' ' ' GLU . 3.5 tt -71.61 -43.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.06 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 1.007 HD13 HD21 ' B' ' 953' ' ' LEU . 18.0 mt -67.91 -30.21 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.982 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.778 ' O ' HD11 ' B' ' 960' ' ' LEU . 12.0 tptm -53.04 -51.13 62.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.03 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -80.28 -15.54 56.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.796 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 497' ' ' LEU . 0.2 OUTLIER -45.65 -27.93 0.89 Allowed 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.21 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.719 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER 50.06 48.64 6.26 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.356 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.934 ' HG3' HD21 ' B' ' 957' ' ' LEU . 88.7 Cg_endo -83.56 138.2 8.33 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.29 1.993 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -68.13 137.73 55.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -84.41 128.45 34.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -141.68 131.61 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.31 124.04 38.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.045 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 467' ' ' PRO . 45.0 mt -115.27 119.43 61.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.9 m120 63.25 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -160.12 29.24 0.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -135.23 155.33 50.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.6 ttp -86.45 126.4 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -131.57 166.3 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 79.0 m-85 -119.71 156.12 31.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 85.8 p -146.72 153.78 40.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.709 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.2 OUTLIER -140.08 127.14 20.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -97.46 129.74 44.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.922 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 23.7 m -59.42 -35.72 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.321 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 28.9 t -125.99 139.9 53.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.3 m -176.88 -64.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -67.43 -29.41 68.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.65 -37.95 80.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.01 -43.44 95.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -67.76 -31.08 70.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.682 ' HG2' HD13 ' A' ' 474' ' ' LEU . 0.7 OUTLIER -57.69 -37.47 73.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.023 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 471' ' ' LYS . . . -86.06 -51.05 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -58.13 -41.22 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.061 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 497' ' ' LEU . 9.1 tt -67.92 -40.12 83.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.04 -38.72 92.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.046 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -55.37 -27.02 44.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.385 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . 0.429 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.2 mm-40 -80.16 -59.88 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.19 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.934 HD21 ' HG3' ' A' ' 502' ' ' PRO . 10.8 tp -65.71 -31.41 72.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.2 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -57.72 -20.22 32.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -67.7 -25.89 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.206 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.778 HD11 ' O ' ' A' ' 498' ' ' LYS . 11.7 mt -55.14 -39.56 69.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.927 0.394 . . . . 0.0 110.811 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.91 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 12.8 p -106.46 138.45 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -133.23 162.2 32.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.518 HG11 HD21 ' A' ' 493' ' ' LEU . 22.5 t -101.66 129.71 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.514 HG22 ' H ' ' A' ' 457' ' ' ASP . 29.2 m -130.49 144.61 51.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.413 ' HB2' HD13 ' A' ' 496' ' ' ILE . 85.6 tt0 -59.11 -36.2 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.514 ' H ' HG22 ' A' ' 455' ' ' THR . 22.0 t70 -59.46 -39.1 82.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.84 94.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.94 -43.65 92.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.29 -36.42 75.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -57.75 -42.67 84.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -68.1 -45.15 74.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 513' ' ' PHE . 35.2 mt -66.54 -35.49 80.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -65.96 -31.91 73.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 26.5 ttm105 -77.46 -56.96 4.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.09 149.06 37.4 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.25 132.68 21.38 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.641 2.227 . . . . 0.0 112.276 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 62.4 mtm -141.04 155.16 46.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 11.1 t -84.82 167.81 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.807 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 1.054 HG22 HD23 ' B' ' 953' ' ' LEU . 0.5 OUTLIER -57.97 -38.04 75.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -59.46 -42.75 92.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.08 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.75 -41.61 91.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' B' ' 950' ' ' ALA . 26.8 mt -69.32 -31.55 70.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -56.08 -26.81 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 75.8 mmtt -57.26 -36.74 71.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.026 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' A' ' 482' ' ' THR . 87.0 m-85 -157.15 47.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -72.34 -42.7 65.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.007 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 57.1 p -126.96 27.73 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . 0.44 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 61.7 mttp -98.07 148.47 23.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 83.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.467 HG21 ' HB3' ' A' ' 477' ' ' PHE . 36.1 p -112.33 25.47 11.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.034 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 77.15 -60.89 3.5 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 18.2 mt -80.2 144.69 32.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 53.1 p -67.3 163.47 20.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 6.7 m -58.61 -38.14 77.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -67.14 -47.37 71.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -65.1 -32.28 73.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.427 ' O ' HD23 ' A' ' 493' ' ' LEU . 45.6 m -57.69 -41.19 81.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.41 -41.81 93.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -60.74 -46.56 89.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.87 -46.28 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 497' ' ' LEU . 3.8 mm? -62.34 -43.55 98.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.52 71.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.281 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -60.83 -41.08 95.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.566 HG22 HD22 ' A' ' 497' ' ' LEU . 0.9 OUTLIER -78.32 -42.11 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-O 121.041 0.448 . . . . 0.0 110.648 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.628 ' CD1' HD22 ' A' ' 500' ' ' LEU . 3.5 mm? -68.45 -35.07 77.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.294 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.608 ' O ' HD21 ' B' ' 960' ' ' LEU . 14.4 tptt -47.94 -55.2 10.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.567 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.69 -15.18 58.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.072 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 515' ' ' LEU . 32.3 tp -45.36 -56.09 5.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.864 0.364 . . . . 0.0 111.857 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.571 ' CA ' HD13 ' B' ' 960' ' ' LEU . 23.4 t-20 55.95 51.02 5.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.688 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.0 Cg_endo -76.3 158.02 37.17 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.675 2.25 . . . . 0.0 112.181 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -57.93 132.78 54.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.706 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 16.6 mtp-105 -97.32 99.02 10.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.197 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -107.26 148.11 29.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . 0.44 ' O ' HD13 ' A' ' 507' ' ' ILE . 2.8 tpp -96.71 108.96 21.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 506' ' ' MET . 33.8 mm -122.07 121.88 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 56.93 43.57 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.88 29.8 19.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -134.86 149.39 50.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 65.7 mtt -79.65 112.61 17.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -110.79 144.65 39.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.79 ' CE2' HG23 ' A' ' 470' ' ' THR . 76.9 m-85 -105.71 136.89 44.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 10.9 t -142.65 141.39 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.789 HD11 HD11 ' A' ' 500' ' ' LEU . 17.6 mt -122.68 137.68 54.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -118.97 94.96 4.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.885 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 48.9 m -120.34 146.86 45.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 48.2 m -121.61 146.89 46.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.13 -58.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.49 -35.22 75.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.59 -38.96 92.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.46 -39.75 88.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.31 -37.37 87.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 70.6 mtm -61.0 -38.17 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' A' ' 474' ' ' LEU . . . -75.68 -46.44 31.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -59.51 -36.77 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.057 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.38 -49.07 77.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 1.054 HD23 HG22 ' A' ' 470' ' ' THR . 4.2 tp -68.45 -35.14 77.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -57.74 -55.41 35.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.145 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -72.2 -22.93 61.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.388 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -56.26 -39.09 72.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.209 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.536 HD13 HD12 ' B' ' 960' ' ' LEU . 0.4 OUTLIER -88.96 -10.09 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.372 -179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.2 -32.15 54.89 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -67.98 -31.53 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.608 HD21 ' O ' ' A' ' 498' ' ' LYS . 32.4 mt -58.49 -34.15 70.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 36.0 ttm . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.85 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.02 129.96 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -118.89 120.0 36.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.7 m -69.66 135.15 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.761 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.3 t -135.5 152.0 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.512 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.61 -39.6 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.761 ' H ' HG23 ' A' ' 455' ' ' THR . . . -63.08 -41.45 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.412 HG11 HD21 ' A' ' 497' ' ' LEU . 32.4 t -65.31 -41.71 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.07 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.556 ' HG3' HD22 ' A' ' 515' ' ' LEU . 41.9 ttp180 -59.13 -40.56 85.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 -60.64 -40.74 93.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -68.65 -45.57 71.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.29 -35.44 80.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -64.36 -31.15 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 -81.75 -59.67 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -146.02 150.07 40.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.65 138.42 45.33 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.474 2.116 . . . . 0.0 112.268 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.401 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 89.6 mtp -132.61 150.87 52.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.629 HG23 ' CD2' ' A' ' 512' ' ' HIS . 43.7 p -91.37 165.45 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.924 HG23 ' CE1' ' A' ' 513' ' ' PHE . 35.4 p -57.53 -44.76 85.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -60.17 -44.34 95.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . 0.401 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 49.2 t0 -59.03 -37.66 77.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.63 -42.26 87.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.591 HD21 HG22 ' A' ' 490' ' ' VAL . 0.2 OUTLIER -73.2 -40.69 64.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -59.45 -34.72 72.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.804 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -59.55 -34.82 73.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.63 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.432 ' CD2' ' HD3' ' A' ' 480' ' ' LYS . 95.6 m-85 -130.1 39.14 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.685 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 479' ' ' THR . 52.6 tt0 -55.74 -43.03 76.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.164 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.8 OUTLIER -158.18 87.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.998 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' A' ' 477' ' ' PHE . 13.1 mtpt -124.04 165.93 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.51 65.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.3 p -94.43 -24.97 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 106.71 -26.5 19.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 51.6 mt -103.66 147.61 27.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.3 m -59.5 160.31 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.7 m -57.69 -40.03 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.52 -40.02 88.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -63.11 -36.02 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.573 HG22 HD13 ' A' ' 493' ' ' LEU . 18.7 m -59.11 -41.37 87.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.591 HG22 HD21 ' A' ' 474' ' ' LEU . 32.3 t -62.93 -38.4 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -58.97 -44.6 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.021 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 37.8 t -71.89 -48.99 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.122 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.573 HD13 HG22 ' A' ' 489' ' ' THR . 8.9 mp -64.72 -34.18 77.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.81 ' HA ' HD12 ' B' ' 953' ' ' LEU . . . -67.86 -45.59 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -71.06 -37.39 72.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.512 HD11 ' HB2' ' A' ' 456' ' ' GLU . 4.6 tt -72.0 -44.82 65.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.044 0.45 . . . . 0.0 111.194 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 1.104 HD12 HD11 ' B' ' 953' ' ' LEU . 18.3 mt -71.56 -43.92 65.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.368 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.988 ' O ' HD11 ' B' ' 960' ' ' LEU . 2.2 tmtt? -47.18 -44.32 21.98 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.687 0.279 . . . . 0.0 111.454 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -79.79 -15.63 57.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.837 0.351 . . . . 0.0 111.196 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 502' ' ' PRO . 17.8 tp -54.6 -41.2 69.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.961 ' HA ' HD13 ' B' ' 960' ' ' LEU . 38.0 m-80 60.29 49.6 2.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.977 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.801 ' HD2' HD22 ' B' ' 957' ' ' LEU . 7.9 Cg_exo -71.22 143.5 44.08 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.186 1.924 . . . . 0.0 112.106 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -61.5 132.43 53.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.437 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -96.49 120.68 37.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 111.096 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -134.04 149.68 51.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.754 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.3 ptp -101.45 108.71 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -118.98 127.53 75.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.82 42.52 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 59.02 35.46 24.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -143.83 153.39 42.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 469' ' ' THR . 64.8 mtt -85.86 124.63 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.629 ' CD2' HG23 ' A' ' 469' ' ' THR . 67.6 m80 -127.76 159.15 35.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.924 ' CE1' HG23 ' A' ' 470' ' ' THR . 93.1 m-85 -110.12 136.71 48.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.773 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 31.4 t -131.93 150.26 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.556 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -138.47 113.28 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.898 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -89.48 132.22 35.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.851 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 85.4 p -60.61 -31.06 70.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 75.6 m 57.36 36.01 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 85.7 p -59.55 -32.69 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.4 -39.07 93.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -73.09 -39.08 66.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.56 -38.12 80.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -65.47 -41.99 92.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 35.5 mtm -68.93 -38.68 79.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.31 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -58.46 -46.67 86.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.999 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.29 79.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 1.104 HD11 HD12 ' A' ' 497' ' ' LEU . 11.5 tp -68.47 -44.79 74.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.693 ' HB3' HG21 ' A' ' 470' ' ' THR . 22.3 pt-20 -72.8 -35.83 67.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -58.87 -30.79 68.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -51.36 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.868 HD21 ' O ' ' A' ' 497' ' ' LEU . 31.2 mt -63.99 -29.58 70.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.121 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . 0.555 ' O ' ' HE2' ' B' ' 961' ' ' MET . 98.9 m-20 -57.21 -26.6 60.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.159 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -67.82 -35.69 79.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.988 HD11 ' O ' ' A' ' 498' ' ' LYS . 8.1 mt -64.81 -26.91 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . 0.555 ' HE2' ' O ' ' B' ' 958' ' ' ASN . 73.4 mtm . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.872 0.368 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.562 ' CG1' HG22 ' A' ' 482' ' ' THR . 11.7 p -105.94 140.29 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -113.78 156.95 22.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 24.5 t -103.87 133.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 457' ' ' ASP . 58.2 m -123.48 140.87 52.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.21 -36.49 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.558 ' H ' HG22 ' A' ' 455' ' ' THR . 89.6 m-20 -59.56 -40.85 88.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.68 -40.27 92.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.88 -42.35 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -59.56 -40.89 88.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 34.9 mtm105 -59.24 -39.42 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -68.73 -46.42 68.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.675 ' CD1' HD21 ' A' ' 500' ' ' LEU . 44.4 mt -67.01 -36.82 82.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.032 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.0 p -64.26 -30.84 71.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.3 tpt85 -73.93 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 145.67 25.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.77 133.52 57.81 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.512 2.142 . . . . 0.0 112.202 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.432 ' HB2' HD23 ' A' ' 463' ' ' LEU . 85.2 mtp -130.34 150.41 51.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.439 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.4 p -96.68 169.0 10.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.517 HG23 ' HE2' ' A' ' 513' ' ' PHE . 67.9 p -57.98 -47.83 81.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.512 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 7.4 mtmp? -63.72 -34.77 78.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.822 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -58.98 -36.6 75.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.787 HD13 HD11 ' A' ' 497' ' ' LEU . 71.1 mt -59.77 -46.27 89.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 93.2 mt -68.29 -35.7 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.22 -41.36 92.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -34.86 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.751 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -135.81 72.12 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -75.39 -177.99 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.1 t -55.68 93.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . 0.712 ' HG3' HG23 ' A' ' 482' ' ' THR . 59.6 pttt -132.31 -171.27 2.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.28 65.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.712 HG23 ' HG3' ' A' ' 480' ' ' LYS . 67.4 p -105.65 -26.08 11.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.3 -25.7 26.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.545 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.1 mt -102.79 140.33 37.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.771 0.319 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.6 m -65.41 160.33 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 490' ' ' VAL . 19.4 m -58.34 -38.25 76.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -71.45 -40.91 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.579 ' O ' HG23 ' A' ' 492' ' ' VAL . 93.9 mt-30 -63.97 -38.77 92.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.528 HG22 HD13 ' A' ' 493' ' ' LEU . 40.2 m -61.43 -42.48 98.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 486' ' ' SER . 38.9 t -60.31 -43.43 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.65 -41.57 95.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 488' ' ' GLN . 40.0 t -66.36 -48.77 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.528 HD13 HG22 ' A' ' 489' ' ' THR . 7.8 mp -69.13 -33.44 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -46.39 82.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -67.22 -36.72 82.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -76.64 -47.99 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.787 HD11 HD13 ' A' ' 473' ' ' LEU . 76.3 mt -60.66 -35.58 76.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.906 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -51.61 -55.14 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.281 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -73.58 -15.86 61.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.301 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.675 HD21 ' CD1' ' A' ' 463' ' ' LEU . 18.9 tp -48.42 -37.94 18.4 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.76 ' HA ' HD21 ' B' ' 960' ' ' LEU . 22.5 t30 60.16 52.52 3.31 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 94.3 Cg_endo -78.92 159.97 27.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.64 2.227 . . . . 0.0 112.382 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -92.17 130.32 37.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.705 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 49.0 ptt85 -92.27 124.13 36.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -128.29 148.04 50.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.818 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -91.89 97.51 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.535 HG22 HD22 ' A' ' 508' ' ' ASN . 44.2 mt -118.71 121.57 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.535 HD22 HG22 ' A' ' 507' ' ' ILE . 2.7 m-80 57.95 41.96 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 58.91 37.38 24.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -149.49 141.72 24.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -75.66 124.23 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.439 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 62.9 m80 -121.67 143.3 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.517 ' HE2' HG23 ' A' ' 470' ' ' THR . 87.5 m-85 -101.74 129.04 47.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.1 t -143.43 140.48 30.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.967 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 18.1 mt -114.29 138.99 49.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -124.16 94.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.888 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 42.1 m -62.88 150.8 40.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 2.0 m -170.34 34.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.1 m -124.5 -75.57 0.6 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.66 -36.88 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.96 -42.25 90.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.13 -38.48 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.99 -36.79 85.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.98 -40.77 94.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -85.51 -29.5 24.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 23.7 tttp -58.6 -43.52 89.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -69.91 -43.1 72.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.774 HD21 HD13 ' A' ' 497' ' ' LEU . 10.1 tt -66.09 -44.67 83.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.79 -38.98 90.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.84 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.72 -59.84 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.965 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.636 ' CD2' HD22 ' B' ' 960' ' ' LEU . 2.5 mt -62.93 -24.07 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.966 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -54.48 -31.91 56.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.969 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -68.01 -44.52 76.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.906 HD13 ' O ' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -72.82 -37.89 67.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.619 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . 0.444 ' N ' HD23 ' B' ' 960' ' ' LEU . 15.6 ptp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.436 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 46.7 p30 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.878 0.371 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.591 HG21 ' NZ ' ' A' ' 480' ' ' LYS . 21.4 t -111.32 132.0 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -112.72 117.78 33.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.89 131.71 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.738 HG23 ' H ' ' A' ' 458' ' ' ALA . 12.7 t -137.34 157.63 46.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.83 -38.27 87.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -59.09 -42.69 91.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.738 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.75 -39.57 93.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 455' ' ' THR . 27.3 t -66.72 -46.11 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -60.33 -37.34 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.009 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -59.27 -38.78 80.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.439 ' CZ ' ' HE2' ' A' ' 476' ' ' LYS . 23.1 m-85 -70.34 -44.8 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.074 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.98 -34.74 75.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.2 p -61.7 -24.89 67.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -80.76 -65.12 1.05 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.03 150.05 40.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.27 135.57 65.51 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.565 2.177 . . . . 0.0 112.227 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 90.2 mtp -134.23 145.07 48.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.531 HG23 ' CD2' ' A' ' 512' ' ' HIS . 42.2 p -90.62 161.53 15.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.639 HG21 ' CB ' ' B' ' 954' ' ' GLU . 42.1 p -58.05 -45.95 86.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -60.93 -43.04 99.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.09 -38.94 92.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.71 -41.07 88.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.711 HD21 HG22 ' A' ' 490' ' ' VAL . 0.4 OUTLIER -64.5 -40.91 96.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.775 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.36 -30.09 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.439 ' HE2' ' CZ ' ' A' ' 462' ' ' TYR . 36.6 tttp -58.0 -36.5 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.415 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 74.4 m-85 -133.19 30.44 3.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.972 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.509 ' HG3' HG23 ' A' ' 479' ' ' THR . 17.7 pt20 -68.34 -46.38 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.099 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.509 HG23 ' HG3' ' A' ' 478' ' ' GLN . 53.2 p -133.51 26.07 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.147 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . 0.591 ' NZ ' HG21 ' A' ' 452' ' ' VAL . 13.8 ttpp -79.83 148.97 31.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -61.88 84.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 43.8 p -116.02 -24.21 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 103.8 -22.36 35.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.534 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.8 mm? -96.15 143.78 26.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.75 0.31 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.4 m -60.53 160.18 9.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.9 m -57.43 -42.41 82.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.72 -40.22 72.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.58 -34.92 78.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.452 HG22 HD12 ' A' ' 493' ' ' LEU . 28.8 m -58.3 -41.78 85.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.741 HG21 ' HB2' ' B' ' 949' ' ' MET . 33.8 t -64.64 -39.58 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -58.23 -44.85 88.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.29 -44.92 77.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.039 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 497' ' ' LEU . 18.5 mt -64.21 -39.29 93.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.538 ' HB1' ' HG2' ' B' ' 956' ' ' GLU . . . -64.2 -38.98 92.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -76.98 -44.74 29.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.2 tt -64.21 -44.64 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.078 0.466 . . . . 0.0 110.901 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 1.122 HD13 HD21 ' B' ' 953' ' ' LEU . 6.6 mt -68.98 -31.4 70.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.702 ' O ' HD11 ' B' ' 960' ' ' LEU . 13.0 tptm -47.87 -50.48 26.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.297 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -79.96 -15.5 57.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.773 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.742 HD22 HD23 ' A' ' 497' ' ' LEU . 54.1 tp -45.72 -54.0 8.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.633 ' HA ' HD13 ' B' ' 960' ' ' LEU . 4.7 m-20 65.61 48.42 0.62 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 120.809 0.337 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.56 ' HG3' HD23 ' A' ' 500' ' ' LEU . 73.8 Cg_endo -74.7 175.97 10.41 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.564 2.176 . . . . 0.0 112.212 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.34 160.46 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.744 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -121.38 126.43 49.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.69 131.76 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -84.97 108.05 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -118.76 122.21 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 57.34 43.39 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.07 31.23 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -135.52 153.25 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.45 ' HE1' ' CZ ' ' A' ' 513' ' ' PHE . 2.8 tmm? -86.83 123.07 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.531 ' CD2' HG23 ' A' ' 469' ' ' THR . 68.2 m80 -124.82 146.6 49.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.45 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 31.7 m-85 -103.83 135.43 45.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.7 t -145.22 143.58 30.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' ' 502' ' ' PRO . 0.1 OUTLIER -118.6 130.21 55.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -93.92 126.84 39.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.909 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 88.4 p -124.22 155.28 38.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 32.1 t -118.21 140.22 50.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.37 -56.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.73 -34.36 77.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.12 85.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.38 -36.54 82.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.25 -42.56 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.741 ' HB2' HG21 ' A' ' 490' ' ' VAL . 6.3 ptt? -75.13 -31.05 60.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.36 71.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -59.04 -39.25 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.51 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 1.122 HD21 HD13 ' A' ' 497' ' ' LEU . 8.8 tt -61.83 -41.09 97.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.639 ' CB ' HG21 ' A' ' 470' ' ' THR . 85.5 tt0 -65.41 -43.39 90.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.57 74.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . 0.538 ' HG2' ' HB1' ' A' ' 494' ' ' ALA . 45.8 tp10 -65.05 -44.42 89.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.792 HD21 ' O ' ' A' ' 497' ' ' LEU . 2.0 mt -77.11 -29.03 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -55.61 -23.41 27.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.238 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -67.87 -29.93 69.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.145 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.702 HD11 ' O ' ' A' ' 498' ' ' LYS . 12.5 mt -52.21 -69.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 111.067 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.846 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.6 t0 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.832 0.349 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.2 p -107.43 136.54 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -117.72 136.02 53.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' A' ' 477' ' ' PHE . 5.7 m -72.88 129.68 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.18 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.1 p -127.82 150.64 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.488 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -68.09 -40.02 82.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.64 -39.88 89.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.34 96.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.2 -39.91 85.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.07 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.737 ' HG3' HD13 ' A' ' 515' ' ' LEU . 36.1 ttm180 -59.38 -36.4 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -58.38 -39.72 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.444 ' CE2' ' HD3' ' A' ' 476' ' ' LYS . 54.3 m-85 -70.05 -46.21 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.57 HD12 HD12 ' A' ' 515' ' ' LEU . 59.6 mt -67.5 -34.4 77.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.0 p -62.52 -31.22 71.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -77.0 -59.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -146.11 143.09 18.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.774 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.02 137.78 69.69 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.337 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 79.9 mtp -135.83 155.59 50.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.404 HG22 ' CD2' ' A' ' 512' ' ' HIS . 23.0 p -87.75 165.12 15.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.839 HG23 ' CE2' ' A' ' 513' ' ' PHE . 0.8 OUTLIER -57.93 -46.89 84.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.593 ' HE3' ' HB1' ' B' ' 946' ' ' ALA . 86.2 tttt -59.21 -39.76 83.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -62.13 -38.59 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.46 -45.71 89.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.586 HD21 ' CE ' ' B' ' 949' ' ' MET . 28.8 tp -65.8 -33.61 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -58.66 -36.79 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.444 ' HD3' ' CE2' ' A' ' 462' ' ' TYR . 52.2 mttm -59.46 -30.46 68.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.556 ' O ' HG21 ' A' ' 489' ' ' THR . 98.1 m-85 -131.48 78.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -105.27 172.91 6.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.721 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 1.4 t -56.37 90.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -132.89 -76.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -134.36 14.22 3.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.237 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.2 p -69.24 -28.58 66.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.764 0.316 . . . . 0.0 110.981 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.86 -26.03 26.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 54.3 mt -100.38 145.97 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.821 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.5 m -59.58 164.0 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.539 ' HB2' ' HE3' ' B' ' 949' ' ' MET . 86.8 p -57.27 -36.45 71.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.63 -39.38 73.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.01 -37.17 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.705 HG22 HD12 ' A' ' 493' ' ' LEU . 23.2 m -59.5 -39.58 84.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.9 t -64.43 -34.61 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.059 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -58.55 -46.26 87.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.0 t -72.44 -47.67 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.705 HD12 HG22 ' A' ' 489' ' ' THR . 9.8 mt -62.99 -38.83 92.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.8 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -77.3 -44.82 28.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 456' ' ' GLU . 4.3 tt -63.46 -45.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.145 0.498 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.666 ' O ' HD21 ' B' ' 957' ' ' LEU . 4.6 mt -66.37 -33.23 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.752 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.737 ' O ' HD11 ' B' ' 960' ' ' LEU . 15.3 tptm -50.4 -48.89 55.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -80.22 -15.52 56.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.671 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.625 HD22 HD23 ' A' ' 497' ' ' LEU . 53.3 tp -45.61 -54.67 7.34 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.634 ' HA ' HD13 ' B' ' 960' ' ' LEU . 17.1 t-20 66.64 47.65 0.48 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 120.726 0.298 . . . . 0.0 111.0 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.617 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.4 Cg_endo -75.44 172.04 17.09 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.528 2.152 . . . . 0.0 112.245 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -96.05 131.34 42.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.692 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -99.0 129.71 45.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.985 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -133.26 144.3 49.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.786 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.11 102.84 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.5 mt -119.99 124.62 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.71 40.88 26.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.8 t0 58.31 30.45 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -141.71 140.33 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 125.96 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.404 ' CD2' HG22 ' A' ' 469' ' ' THR . 61.2 m80 -126.71 152.11 47.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.839 ' CE2' HG23 ' A' ' 470' ' ' THR . 61.4 m-85 -104.46 127.92 52.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.3 t -134.64 134.34 41.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.737 HD13 ' HG3' ' A' ' 460' ' ' ARG . 15.3 mt -115.03 140.22 49.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -125.11 94.91 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.878 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 29.7 t -119.79 141.7 49.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . 0.423 ' HB2' ' HB3' ' B' ' 946' ' ' ALA . 0.9 OUTLIER -150.8 -50.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 15.7 m 67.39 -70.0 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.14 -36.67 78.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . 0.593 ' HB1' ' HE3' ' A' ' 471' ' ' LYS . . . -70.29 -36.25 74.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.82 -45.03 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -75.4 -33.3 60.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.586 ' CE ' HD21 ' A' ' 474' ' ' LEU . 0.0 OUTLIER -62.82 -43.61 98.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -80.77 -30.72 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.235 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -58.71 -43.24 90.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.61 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.186 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.656 HD23 HG22 ' A' ' 470' ' ' THR . 1.5 tp -62.11 -50.39 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.603 ' CA ' HG21 ' A' ' 470' ' ' THR . 83.6 tt0 -71.97 -36.52 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.24 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.323 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -85.18 -43.84 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.323 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 497' ' ' LEU . 0.6 OUTLIER -77.11 -24.88 51.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.731 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -58.22 -19.25 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.383 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . 0.401 ' HB3' ' CE ' ' A' ' 498' ' ' LYS . 45.6 t0 -67.79 -31.63 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.236 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.737 HD11 ' O ' ' A' ' 498' ' ' LYS . 15.6 mt -54.87 -40.44 69.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.929 0.395 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 59.5 ttp . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.932 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.1 t0 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.0 p -107.1 137.15 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -118.68 149.54 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.3 t -109.29 128.42 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 459' ' ' VAL . 22.7 p -129.99 159.83 35.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.473 ' HB2' HD13 ' A' ' 496' ' ' ILE . 86.9 tt0 -63.93 -40.39 96.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -61.15 -38.42 86.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.983 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.86 -44.13 90.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 455' ' ' THR . 24.6 t -61.85 -47.46 93.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.833 ' HG3' HD13 ' A' ' 515' ' ' LEU . 26.0 ttm105 -61.81 -36.69 81.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 56.5 ttt85 -57.19 -40.55 77.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.008 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.408 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 79.3 m-85 -69.98 -42.79 72.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.936 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.685 HD13 HD12 ' A' ' 515' ' ' LEU . 7.7 mt -66.68 -34.78 78.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -64.88 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.51 -59.88 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -146.12 146.09 26.86 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.23 132.54 52.87 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.516 2.144 . . . . 0.0 112.198 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.55 ' CG ' HD23 ' A' ' 463' ' ' LEU . 7.6 ptm -147.28 148.37 31.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 31.1 p -80.08 162.81 24.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.702 HG23 ' CD2' ' A' ' 513' ' ' PHE . 1.0 OUTLIER -62.44 -33.52 74.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.985 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.538 ' HA ' ' HB1' ' B' ' 950' ' ' ALA . 64.3 tttm -57.28 -42.42 81.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.53 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.452 HD23 ' CE ' ' A' ' 468' ' ' MET . 67.8 mt -62.58 -41.88 99.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 490' ' ' VAL . 2.2 tm? -68.21 -49.48 60.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -64.59 -35.54 81.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -58.3 -40.14 81.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.039 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.406 ' O ' HG21 ' A' ' 489' ' ' THR . 97.2 m-85 -126.09 70.32 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -176.39 -52.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 49.0 p -92.91 15.93 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.343 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -97.71 -69.68 0.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.813 0.339 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -176.32 48.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.87 121.97 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -57.93 -22.3 47.8 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.406 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.6 tp -79.91 149.28 30.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 24.4 m -57.89 150.74 19.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.594 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.2 p -62.41 -36.03 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.3 -44.51 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.728 ' O ' HG23 ' A' ' 492' ' ' VAL . 57.9 mt-30 -66.14 -35.85 81.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 477' ' ' PHE . 31.9 m -59.29 -40.41 86.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 486' ' ' SER . 27.1 t -60.51 -46.14 95.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -61.86 -38.88 89.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.9 t -62.15 -51.57 70.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.83 -36.27 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.429 ' HB1' ' OE1' ' B' ' 956' ' ' GLU . . . -63.76 -47.87 79.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.205 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.87 -35.54 76.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 456' ' ' GLU . 0.3 OUTLIER -78.07 -49.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.949 HD13 HD21 ' B' ' 953' ' ' LEU . 41.0 mt -60.64 -40.34 91.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.094 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.729 ' O ' HD22 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -48.15 -53.33 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.57 -179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 -79.13 -15.39 58.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.564 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.912 HD21 HD21 ' A' ' 515' ' ' LEU . 5.8 tt -45.73 -45.35 14.35 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.554 ' HA ' HD21 ' B' ' 960' ' ' LEU . 4.5 t30 63.79 54.79 1.67 Allowed Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.984 0.421 . . . . 0.0 110.626 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.879 ' HG3' HD21 ' B' ' 957' ' ' LEU . 75.6 Cg_endo -77.06 -168.59 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.814 2.343 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -109.15 156.02 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.705 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.6 mtm105 -112.44 131.15 55.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.044 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . 0.657 ' CD ' HD11 ' A' ' 507' ' ' ILE . 1.6 ttmp? -136.95 133.85 36.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.47 107.87 14.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.657 HD11 ' CD ' ' A' ' 505' ' ' LYS . 36.7 mm -118.72 117.31 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 56.44 43.81 25.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 60.2 37.87 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -146.89 137.88 23.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 24.0 ptm -66.09 123.33 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.424 ' CE1' ' HB ' ' A' ' 507' ' ' ILE . 6.2 m80 -121.98 150.39 42.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.702 ' CD2' HG23 ' A' ' 470' ' ' THR . 41.4 m-85 -98.61 136.35 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.2 t -138.76 145.49 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.912 HD21 HD21 ' A' ' 500' ' ' LEU . 1.6 mt -127.51 135.7 50.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -111.56 99.62 8.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.892 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 86.2 p -61.0 -30.6 70.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.728 0.299 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 44.4 m -62.48 153.09 32.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 84.2 p -133.09 -63.88 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.29 -35.27 78.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.8 98.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -60.43 -35.4 75.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.99 -35.53 73.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 65.9 ttp -80.82 -35.36 33.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 471' ' ' LYS . . . -70.28 -35.4 73.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.33 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -29.33 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.054 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.09 91.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.949 HD21 HD13 ' A' ' 497' ' ' LEU . 9.3 tt -66.34 -44.38 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.66 -30.89 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.056 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.36 -33.66 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . 0.429 ' OE1' ' HB1' ' A' ' 494' ' ' ALA . 91.1 mt-10 -78.27 -54.43 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.879 HD21 ' HG3' ' A' ' 502' ' ' PRO . 13.0 tp -64.66 -32.98 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.32 -38.26 83.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.01 -41.57 82.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 498' ' ' LYS . 0.4 OUTLIER -59.48 -34.95 73.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.738 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 17.5 ttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.868 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.843 0.354 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.492 ' O ' HG22 ' A' ' 482' ' ' THR . 13.9 p -107.3 140.88 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -98.42 161.9 13.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 493' ' ' LEU . 29.1 t -99.96 133.45 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.056 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.09 155.89 26.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.4 -37.45 80.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -58.26 -51.35 70.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.197 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.406 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -58.33 -36.54 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.598 HG11 HD21 ' A' ' 497' ' ' LEU . 38.2 t -79.08 -39.03 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.247 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.845 ' O ' HG23 ' A' ' 464' ' ' THR . 26.1 ttm105 -62.51 -45.27 93.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.339 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -56.64 -38.18 71.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.225 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.406 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 20.5 m-85 -62.44 -44.87 95.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.065 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.603 HD12 HD12 ' A' ' 515' ' ' LEU . 82.2 mt -73.57 -38.06 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 460' ' ' ARG . 62.7 p -60.41 -32.73 71.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -80.97 -49.05 11.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 140.83 15.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.53 128.81 14.87 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.51 2.14 . . . . 0.0 112.225 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.6 163.7 29.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.814 HG23 ' CD2' ' A' ' 512' ' ' HIS . 19.0 p -92.25 173.29 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.815 ' CB ' HD23 ' B' ' 953' ' ' LEU . 4.9 p -57.64 -44.3 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.729 ' HD2' ' HB2' ' B' ' 950' ' ' ALA . 0.0 OUTLIER -58.74 -39.38 80.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.984 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.1 -37.67 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.631 HD12 HD21 ' B' ' 953' ' ' LEU . 71.4 mt -62.15 -41.06 97.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' B' ' 949' ' ' MET . 59.6 mt -67.72 -36.87 81.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -58.11 -35.98 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -61.38 -33.1 73.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -151.75 66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -89.21 -68.77 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 70.8 p -117.4 32.38 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.734 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -173.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -50.16 -25.35 3.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.525 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 452' ' ' VAL . 43.6 p -46.95 -31.5 3.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 63.23 29.3 74.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.646 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 75.6 mt -93.97 130.05 40.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -61.72 163.79 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 87.2 p -58.02 -38.06 75.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -76.02 -38.76 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 492' ' ' VAL . 94.6 mt-30 -71.39 -39.87 70.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.46 HG22 HD12 ' A' ' 493' ' ' LEU . 37.5 m -60.71 -47.9 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.004 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' B' ' 949' ' ' MET . 15.4 m -62.75 -43.47 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.409 ' N ' HG23 ' A' ' 490' ' ' VAL . 86.5 m-20 -52.19 -35.88 50.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.275 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 488' ' ' GLN . 25.1 t -81.0 -59.13 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.528 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.769 ' O ' HD12 ' A' ' 497' ' ' LEU . 39.2 mt -60.3 -44.54 95.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.394 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' B' ' 953' ' ' LEU . . . -60.25 -41.51 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 0.0 111.029 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -74.74 -45.02 46.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.02 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.4 tt -63.67 -43.53 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.037 0.446 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 493' ' ' LEU . 1.2 mt -72.68 -26.96 61.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.82 ' O ' HD13 ' B' ' 960' ' ' LEU . 10.3 tmtt? -48.39 -54.99 11.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 111.443 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . 0.565 ' HA ' HD13 ' B' ' 960' ' ' LEU . 95.6 mtt180 -77.42 -15.82 59.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.592 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.645 HD22 HD23 ' A' ' 497' ' ' LEU . 25.7 tp -47.78 -36.15 11.19 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.879 ' HA ' HD21 ' B' ' 960' ' ' LEU . 16.9 t-20 57.45 52.37 5.58 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.442 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 81.6 Cg_endo -77.55 138.22 17.12 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.583 2.188 . . . . 0.0 112.305 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.62 138.71 58.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.428 ' NH1' ' HE1' ' B' ' 961' ' ' MET . 28.2 ptt180 -104.3 123.82 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -132.41 146.46 51.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.793 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 17.7 ptp -92.79 109.74 21.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -119.56 127.61 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 39.0 t30 58.0 42.98 21.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 59.68 30.69 20.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.6 ' HE3' HG21 ' A' ' 469' ' ' THR . 45.0 tttp -144.93 138.44 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.564 ' O ' HG22 ' A' ' 469' ' ' THR . 24.7 ptt? -73.09 128.98 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.814 ' CD2' HG23 ' A' ' 469' ' ' THR . 63.5 m80 -130.98 166.27 21.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.723 ' HE2' HG23 ' A' ' 470' ' ' THR . 47.8 m-85 -106.25 132.64 52.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.6 t -136.95 143.31 42.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.727 HD13 ' HG3' ' A' ' 460' ' ' ARG . 1.8 mt -128.18 143.02 51.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -125.42 105.44 9.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.964 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 22.8 m -59.37 -34.74 72.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 8.1 t 59.1 81.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.41 -52.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.75 -30.87 71.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . 0.438 ' HB1' ' NZ ' ' A' ' 471' ' ' LYS . . . -59.88 -48.26 82.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.263 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.38 -35.05 79.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.73 -37.33 86.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.685 ' HB3' HD13 ' A' ' 474' ' ' LEU . 96.4 mtp -60.44 -36.86 79.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.729 ' HB2' ' HD2' ' A' ' 471' ' ' LYS . . . -67.11 -37.94 84.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.8 -44.81 90.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.87 80.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.815 HD23 ' CB ' ' A' ' 470' ' ' THR . 3.8 tp -68.04 -42.92 79.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.768 ' CA ' HG21 ' A' ' 470' ' ' THR . 15.2 pt-20 -74.97 -44.92 45.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.257 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -57.66 -30.87 65.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.45 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -69.96 -51.51 32.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.166 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.828 ' CD2' HD22 ' B' ' 960' ' ' LEU . 1.3 mt -69.97 -27.86 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.044 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.06 -31.79 63.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.035 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -67.87 -40.97 83.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.879 HD21 ' HA ' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -79.57 -34.07 41.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . 0.428 ' HE1' ' NH1' ' A' ' 504' ' ' ARG . 97.5 mmm . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.833 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.631 ' O ' HG22 ' A' ' 452' ' ' VAL . 14.7 p -108.21 17.1 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.323 0.583 . . . . 0.0 111.417 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -73.61 149.94 41.73 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.675 HG11 HD21 ' A' ' 493' ' ' LEU . 21.2 t -96.67 128.09 48.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.038 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 459' ' ' VAL . 42.2 m -127.75 144.25 51.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.48 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -59.52 -40.17 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.476 ' H ' HG22 ' A' ' 455' ' ' THR . 47.6 t0 -61.71 -40.06 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.32 90.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.58 ' O ' HD12 ' A' ' 463' ' ' LEU . 37.0 t -64.44 -46.52 92.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.764 ' HG3' HD22 ' A' ' 515' ' ' LEU . 44.2 ttp180 -59.16 -32.96 70.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -56.2 -36.42 68.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -69.25 -44.03 72.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.064 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.58 HD12 ' O ' ' A' ' 459' ' ' VAL . 4.4 mp -68.3 -35.13 77.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.7 p -63.05 -28.69 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -78.84 -64.03 1.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.07 155.19 51.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.51 138.86 66.38 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.545 2.163 . . . . 0.0 112.277 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.503 ' SD ' HD23 ' A' ' 473' ' ' LEU . 15.5 ttt -143.06 141.31 31.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.575 HG22 ' CD2' ' A' ' 512' ' ' HIS . 17.4 p -82.49 160.53 22.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 41.5 p -59.87 -45.63 91.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -59.84 -40.04 87.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -58.7 -37.96 77.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.503 HD23 ' SD ' ' A' ' 468' ' ' MET . 81.3 mt -65.18 -41.7 94.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.617 HD13 ' HG2' ' B' ' 949' ' ' MET . 8.9 mt -71.45 -33.57 69.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -60.64 -38.35 84.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.032 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -60.82 -38.49 85.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.041 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -126.32 42.08 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.8 p -157.67 27.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.997 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -64.66 -45.09 88.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.948 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . 0.454 ' O ' HG21 ' A' ' 452' ' ' VAL . 13.1 tptm -175.77 100.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 29.2 p -155.08 -44.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 105.44 -22.76 31.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.654 HD22 ' N ' ' A' ' 484' ' ' LEU . 1.7 mm? -93.35 143.27 26.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.748 0.309 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 49.2 m -59.9 165.25 3.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.785 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.4 p -57.37 -33.61 67.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -75.98 -40.05 54.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.78 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -66.27 -40.66 90.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 26.2 m -60.33 -38.83 84.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 486' ' ' SER . 40.4 t -65.05 -30.06 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -57.53 -45.07 85.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.025 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 36.8 t -71.67 -51.19 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.675 HD21 HG11 ' A' ' 454' ' ' VAL . 4.0 mm? -62.31 -30.54 71.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.686 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -66.37 -44.65 82.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.299 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.52 -42.04 59.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.352 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 456' ' ' GLU . 6.1 tt -63.3 -44.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 0.0 111.136 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.882 HD13 HD11 ' B' ' 953' ' ' LEU . 6.2 mt -72.13 -31.99 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.183 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.743 ' O ' HD22 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -47.93 -51.88 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 111.275 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -79.3 -15.46 57.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.666 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.793 HD22 HD23 ' A' ' 497' ' ' LEU . 27.4 tp -45.8 -45.41 14.75 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.735 ' HA ' HD21 ' B' ' 960' ' ' LEU . 26.8 m-20 61.32 50.63 1.98 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.771 0.319 . . . . 0.0 110.991 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.712 ' HD2' HD22 ' B' ' 957' ' ' LEU . 72.0 Cg_endo -73.87 -167.71 0.4 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.58 2.186 . . . . 0.0 112.211 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -112.03 132.0 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.701 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.2 ptt180 -100.88 124.82 47.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.986 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -135.97 145.48 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 52.0 ttm -97.31 107.8 20.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -121.41 125.34 73.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.25 40.64 27.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 60.31 35.78 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -140.95 153.07 45.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 6.0 tpt -85.24 120.23 26.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.575 ' CD2' HG22 ' A' ' 469' ' ' THR . 66.0 m80 -123.1 140.77 52.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.444 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 20.4 m-85 -103.69 132.6 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 47.3 m -133.34 154.69 50.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.764 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -137.68 138.38 39.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -98.92 127.06 44.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.94 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 93.6 p -124.73 155.73 38.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 70.7 m 59.45 -176.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 8.1 t 69.44 -65.33 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.11 -32.41 66.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -59.92 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -64.6 -34.04 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.08 -29.49 67.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.617 ' HG2' HD13 ' A' ' 474' ' ' LEU . 20.6 ttt -55.57 -44.21 76.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 474' ' ' LEU . . . -86.1 -42.04 14.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.277 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -56.72 -39.53 74.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.038 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.43 74.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.882 HD11 HD13 ' A' ' 497' ' ' LEU . 0.3 OUTLIER -65.57 -42.75 91.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.43 -41.56 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.16 -31.09 69.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . 0.686 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 79.1 mm-40 -66.03 -44.83 83.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.861 HD21 ' O ' ' A' ' 497' ' ' LEU . 15.4 mt -84.09 -18.0 38.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.264 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -57.73 -43.99 85.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.724 0.297 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -67.88 -49.47 61.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.845 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.743 HD22 ' O ' ' A' ' 498' ' ' LYS . 0.3 OUTLIER -65.03 -34.14 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.668 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 48.7 p30 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.853 0.359 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.856 HG11 HG22 ' A' ' 482' ' ' THR . 14.4 p -107.37 131.42 57.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -130.89 125.46 33.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 6.5 m -69.4 128.25 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.232 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 458' ' ' ALA . 14.9 t -142.42 153.46 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.545 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -60.01 -38.78 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -60.12 -35.82 76.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.734 ' H ' HG23 ' A' ' 455' ' ' THR . . . -59.93 -33.76 72.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.7 HG11 HD21 ' A' ' 497' ' ' LEU . 26.2 t -78.11 -40.98 26.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.698 ' O ' HG23 ' A' ' 464' ' ' THR . 26.1 ttm105 -60.55 -43.82 96.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -59.78 -43.33 94.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.088 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 21.3 m-85 -69.81 -41.82 74.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.684 ' CD1' HG12 ' A' ' 459' ' ' VAL . 17.0 mt -68.58 -40.14 80.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.031 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 460' ' ' ARG . 39.7 p -62.52 -29.74 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -69.76 -64.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.97 147.0 30.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.849 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.19 132.4 50.2 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.658 ' HG2' HD23 ' A' ' 463' ' ' LEU . 6.7 ptm -140.41 149.64 42.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 32.3 p -88.05 169.34 12.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.588 HG23 ' CE2' ' A' ' 513' ' ' PHE . 20.1 p -59.52 -42.18 91.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.509 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 28.5 mtpt -58.83 -38.44 78.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.57 -37.32 83.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.411 HD23 ' CE ' ' A' ' 468' ' ' MET . 70.3 mt -61.48 -45.1 95.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.777 HD13 ' HB3' ' B' ' 949' ' ' MET . 34.9 mt -69.94 -30.58 68.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.88 -35.58 71.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -60.75 -37.94 83.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.763 ' CE1' HG21 ' A' ' 452' ' ' VAL . 98.7 m-85 -139.73 55.86 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.735 ' HG3' HG22 ' A' ' 479' ' ' THR . 13.2 pt20 -64.17 -39.69 94.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.735 HG22 ' HG3' ' A' ' 478' ' ' GLN . 1.9 t -175.67 47.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -177.23 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.7 tptm -69.68 66.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.856 HG22 HG11 ' A' ' 452' ' ' VAL . 40.2 p -109.38 -23.3 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 101.45 -22.37 39.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.648 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.1 mm? -98.54 139.2 34.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.728 0.299 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 30.1 t -71.77 162.98 28.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.867 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.0 p -57.88 -35.84 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.38 -43.99 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.794 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -65.42 -40.38 93.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.441 ' O ' HD23 ' A' ' 493' ' ' LEU . 45.1 m -60.3 -42.55 95.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 486' ' ' SER . 40.4 t -63.11 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.33 -42.74 87.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 29.2 t -76.36 -48.24 28.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -64.03 -31.88 73.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -68.7 -42.47 77.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -73.79 -41.72 62.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' A' ' 456' ' ' GLU . 6.7 tt -65.86 -44.82 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.049 0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.869 ' O ' HD13 ' B' ' 957' ' ' LEU . 55.7 mt -69.95 -29.52 66.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.106 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.742 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.9 OUTLIER -55.15 -54.2 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 111.037 -179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . 0.466 ' HA ' HD13 ' B' ' 960' ' ' LEU . 94.2 mtt180 -77.28 -15.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.491 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.616 HD22 HD23 ' A' ' 497' ' ' LEU . 27.6 tp -46.06 -28.89 1.3 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.789 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.947 ' HA ' HD21 ' B' ' 960' ' ' LEU . 22.1 p30 43.54 51.65 7.67 Favored Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.565 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.951 ' HD2' HD11 ' B' ' 957' ' ' LEU . 87.4 Cg_endo -77.57 146.63 24.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.691 2.26 . . . . 0.0 112.303 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 53.8 mp0 -65.86 136.14 55.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.698 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -90.34 131.44 36.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.99 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -132.91 132.24 41.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.7 mtp -88.8 105.94 18.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.96 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -121.26 127.47 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.02 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.4 m120 58.55 40.12 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 58.68 38.66 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -147.03 153.43 40.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.1 mtt -77.86 124.25 27.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.451 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 60.6 m80 -127.53 150.02 49.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.588 ' CE2' HG23 ' A' ' 470' ' ' THR . 83.7 m-85 -107.21 134.66 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 30.4 t -147.96 141.04 24.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 10.2 mt -116.63 138.29 51.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -117.61 94.87 4.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.906 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 3.4 m 58.91 77.84 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 2.2 m -174.44 37.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 23.1 m -59.45 -37.86 79.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.31 -35.55 75.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.66 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.22 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -58.12 -43.07 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.014 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -68.08 -36.78 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.847 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.777 ' HB3' HD13 ' A' ' 474' ' ' LEU . 95.1 mtp -61.3 -42.56 98.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.509 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -86.1 -46.69 10.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.256 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 86.0 tttt -58.03 -46.71 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.083 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.18 93.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 497' ' ' LEU . 9.4 tt -69.01 -46.8 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.76 -33.35 68.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -58.47 -27.53 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.44 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -85.4 -49.9 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.316 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.951 HD11 ' HD2' ' A' ' 502' ' ' PRO . 26.7 tp -71.75 -37.67 70.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.649 -179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' B' ' 959' ' ' ASP . 41.3 p-10 -57.78 -21.78 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.671 0.272 . . . . 0.0 111.342 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' B' ' 958' ' ' ASN . 49.6 t0 -78.12 -55.29 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.947 HD21 ' HA ' ' A' ' 501' ' ' ASN . 0.0 OUTLIER -63.39 -33.83 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.723 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . 0.642 ' N ' HD23 ' B' ' 960' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.786 0.327 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.438 HG11 ' HB2' ' A' ' 481' ' ' LYS . 14.2 p -107.33 135.99 44.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -134.94 163.9 28.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 493' ' ' LEU . 22.0 t -105.82 129.13 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.578 HG22 ' H ' ' A' ' 457' ' ' ASP . 49.4 m -130.13 141.36 50.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.446 ' HB2' HD13 ' A' ' 496' ' ' ILE . 86.6 tt0 -60.36 -34.81 74.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.578 ' H ' HG22 ' A' ' 455' ' ' THR . 92.8 m-20 -58.31 -41.77 85.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -67.73 -37.87 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 455' ' ' THR . 22.0 t -66.63 -47.15 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.674 ' NE ' HD22 ' A' ' 515' ' ' LEU . 15.5 tpt180 -60.49 -42.26 95.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.23 -38.92 84.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.416 ' CE2' ' HE2' ' A' ' 476' ' ' LYS . 21.8 m-85 -67.77 -45.66 74.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.036 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.37 -35.64 81.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -32.93 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -77.02 -49.31 15.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 146.43 28.27 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.2 128.9 12.54 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.595 2.197 . . . . 0.0 112.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.1 mtm -131.67 154.52 48.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 511' ' ' MET . 13.7 p -81.23 162.99 23.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 9.5 p -59.79 -39.55 85.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.907 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 56.2 mtpt -59.22 -41.66 89.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.8 -41.86 97.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.413 HD13 HD21 ' A' ' 497' ' ' LEU . 78.6 mt -60.38 -38.8 85.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.666 ' CD2' HD13 ' B' ' 953' ' ' LEU . 0.1 OUTLIER -73.9 -49.19 25.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 54.7 tttt -66.27 -31.86 72.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.416 ' HE2' ' CE2' ' A' ' 462' ' ' TYR . 51.4 tttt -57.07 -26.97 61.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.443 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.744 ' O ' HG23 ' A' ' 482' ' ' THR . 97.0 m-85 -119.0 -48.09 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.507 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.698 ' HA ' HG21 ' A' ' 489' ' ' THR . 25.7 tt0 -53.76 -46.65 71.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.469 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 17.2 p -97.8 25.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.79 0.329 . . . . 0.0 111.122 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.21 -76.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . 0.438 ' HB2' HG11 ' A' ' 452' ' ' VAL . 14.0 mmmm -153.95 28.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 477' ' ' PHE . 71.9 p -75.46 124.09 26.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -76.84 -21.14 75.03 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.682 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -79.94 157.93 26.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -58.1 160.7 4.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.654 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.8 p -59.41 -37.15 77.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -67.88 -44.71 76.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 492' ' ' VAL . 92.2 mt-30 -65.13 -38.42 90.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.698 HG21 ' HA ' ' A' ' 478' ' ' GLN . 27.5 m -59.37 -41.38 89.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 486' ' ' SER . 40.2 t -64.45 -42.74 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -58.34 -42.98 88.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 488' ' ' GLN . 29.5 t -63.17 -47.35 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 497' ' ' LEU . 26.4 mt -70.08 -39.72 75.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.662 ' HB1' ' OE1' ' B' ' 956' ' ' GLU . . . -60.82 -47.64 85.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.287 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -59.66 -36.76 77.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.03 -49.54 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.824 ' O ' HD11 ' B' ' 957' ' ' LEU . 1.0 OUTLIER -66.52 -30.21 70.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.313 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.816 ' O ' HD11 ' B' ' 960' ' ' LEU . 8.7 ttmt -47.7 -46.94 30.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.827 0.346 . . . . 0.0 111.244 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -79.4 -15.84 57.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.492 HD11 ' HD3' ' A' ' 460' ' ' ARG . 42.5 tp -51.22 -46.13 62.16 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -179.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.556 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.4 OUTLIER 57.06 49.04 3.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.969 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.79 ' HD2' HD12 ' B' ' 957' ' ' LEU . 74.1 Cg_endo -74.7 140.96 27.0 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.506 2.137 . . . . 0.0 112.338 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.9 143.46 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.782 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 31.3 mtm105 -95.5 126.4 40.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -132.23 144.1 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 59.3 ttp -103.53 104.27 14.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.7 mp -119.49 131.66 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.6 m120 59.8 38.57 21.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 57.19 35.62 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.89 148.9 41.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.764 ' O ' HG22 ' A' ' 469' ' ' THR . 94.3 mmm -78.89 114.81 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.54 148.19 44.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -107.32 128.27 54.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 25.3 t -149.45 147.94 28.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.674 HD22 ' NE ' ' A' ' 460' ' ' ARG . 0.0 OUTLIER -120.95 155.05 35.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.79 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -106.16 94.78 5.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.837 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.961 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 22.7 m -59.39 -36.88 76.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 86.3 p -62.25 -30.91 71.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 24.8 m -59.79 -33.48 71.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.14 -36.54 73.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.97 89.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.76 -34.98 76.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . 0.4 ' HA ' ' CG ' ' B' ' 951' ' ' LYS . 98.2 mt-10 -60.36 -35.24 75.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 97.1 mtp -67.14 -37.89 84.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.907 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -86.11 -53.04 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.688 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 0.1 OUTLIER -56.63 -33.14 66.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.474 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.83 -58.05 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.428 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.666 HD13 ' CD2' ' A' ' 474' ' ' LEU . 1.2 tt -70.94 -45.19 64.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.199 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.51 -33.51 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -60.94 -41.01 95.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . 0.662 ' OE1' ' HB1' ' A' ' 494' ' ' ALA . 90.4 mt-10 -69.91 -42.79 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.074 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.824 HD11 ' O ' ' A' ' 497' ' ' LEU . 4.5 mm? -70.0 -31.1 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -59.52 -23.17 62.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -67.72 -36.84 81.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.11 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.816 HD11 ' O ' ' A' ' 498' ' ' LYS . 1.4 mt -58.78 -35.46 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.407 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.811 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.2 t -115.46 136.75 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -107.25 155.18 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.551 HG22 ' CE1' ' A' ' 477' ' ' PHE . 27.4 t -108.44 135.47 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.1 t -133.04 154.56 50.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.07 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.71 -42.11 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.011 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.731 ' H ' HG23 ' A' ' 455' ' ' THR . . . -65.28 -41.05 94.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.19 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.41 -44.68 77.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.24 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.841 ' O ' HG23 ' A' ' 464' ' ' THR . 73.5 mtp85 -60.4 -39.85 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -57.83 -37.6 74.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.7 -39.52 91.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.46 HD21 HD11 ' A' ' 473' ' ' LEU . 88.3 mt -77.11 -43.28 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.841 HG23 ' O ' ' A' ' 460' ' ' ARG . 43.6 p -60.34 -34.17 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -79.88 -51.09 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 26.9 tttm -146.07 137.64 13.04 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.46 124.48 9.41 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.466 2.111 . . . . 0.0 112.287 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.457 ' SD ' HD23 ' A' ' 473' ' ' LEU . 11.4 ptp -135.4 156.64 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 511' ' ' MET . 29.2 p -81.06 170.26 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.989 HG23 ' CE2' ' A' ' 513' ' ' PHE . 4.7 p -58.48 -38.07 76.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -57.66 -45.05 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -67.49 -38.12 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.46 HD11 HD21 ' A' ' 463' ' ' LEU . 70.2 mt -66.18 -43.32 87.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 1.094 HD22 HD23 ' A' ' 493' ' ' LEU . 0.3 OUTLIER -70.94 -49.01 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -60.32 -39.78 88.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -38.84 85.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.791 ' O ' HG21 ' A' ' 489' ' ' THR . 0.2 OUTLIER -105.58 24.72 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.51 ' HG3' ' HE2' ' B' ' 949' ' ' MET . 9.8 tm0? -128.18 -61.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 66.7 p -60.22 -31.44 70.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -73.27 144.61 46.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -60.15 101.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.2 p -111.63 -24.0 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 107.31 -26.36 18.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 50.9 mt -100.46 149.69 23.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.817 0.341 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 20.7 m -58.8 158.06 8.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 490' ' ' VAL . 9.6 t -58.2 -38.9 77.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -72.13 -38.28 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -63.09 -40.59 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.791 HG21 ' O ' ' A' ' 477' ' ' PHE . 90.9 m -61.98 -44.04 97.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.67 HG22 HD11 ' A' ' 474' ' ' LEU . 34.9 t -62.68 -41.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -60.9 -50.22 74.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.4 t -74.55 -48.13 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.237 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 1.094 HD23 HD22 ' A' ' 474' ' ' LEU . 23.7 tp -59.68 -35.26 74.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.58 91.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.941 0.4 . . . . 0.0 110.784 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -72.7 -41.35 65.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 2.3 tt -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.777 HD12 ' HG ' ' A' ' 493' ' ' LEU . 3.0 mt -74.57 -43.6 54.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.893 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.742 ' O ' HD21 ' B' ' 960' ' ' LEU . 0.1 OUTLIER -47.4 -43.85 23.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.352 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.07 -15.96 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.205 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.972 HD21 HD11 ' A' ' 515' ' ' LEU . 2.3 tt -58.06 -44.43 87.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.595 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.916 ' HA ' HD13 ' B' ' 960' ' ' LEU . 0.1 OUTLIER 56.49 56.35 8.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.285 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.846 ' CG ' HD21 ' B' ' 957' ' ' LEU . 73.3 Cg_endo -76.37 151.87 33.95 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.536 2.157 . . . . 0.0 112.192 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.07 135.89 57.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.776 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.59 119.22 38.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -132.84 144.84 50.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.6 mtp -90.57 112.3 23.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.4 mt -119.37 120.96 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.7 43.0 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 59.75 37.11 22.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -140.97 152.37 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.623 ' O ' HG22 ' A' ' 469' ' ' THR . 50.3 ttm -87.74 117.91 26.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -127.3 146.8 50.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.989 ' CE2' HG23 ' A' ' 470' ' ' THR . 91.8 m-85 -106.01 132.34 52.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.0 p -127.98 152.97 47.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.972 HD11 HD21 ' A' ' 500' ' ' LEU . 15.1 mt -133.87 144.71 49.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -132.01 94.92 3.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.767 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.899 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 23.1 t -59.36 -39.13 82.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 54.0 m -128.43 133.09 48.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 21.7 m -62.84 -40.73 98.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.818 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.91 -30.11 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.2 96.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.14 -46.08 88.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -74.97 -27.15 60.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.51 ' HE2' ' HG3' ' A' ' 478' ' ' GLN . 40.7 ttm -56.99 -39.18 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.035 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.95 -44.97 11.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -58.5 -34.2 70.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -70.24 -36.17 74.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.948 HD13 HD23 ' A' ' 474' ' ' LEU . 9.9 tp -71.21 -46.63 60.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.552 ' CA ' HG21 ' A' ' 470' ' ' THR . 0.9 OUTLIER -69.98 -32.02 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -61.57 -39.27 90.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.34 -43.01 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.846 HD21 ' CG ' ' A' ' 502' ' ' PRO . 12.2 tp -69.0 -28.72 66.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -17.79 50.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.389 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.719 0.295 . . . . 0.0 111.145 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.916 HD13 ' HA ' ' A' ' 501' ' ' ASN . 1.7 mt -59.61 -39.53 84.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.965 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.796 0.332 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.839 HG11 HG22 ' A' ' 482' ' ' THR . 22.3 t -120.57 133.9 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -126.0 156.77 39.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.5 t -108.51 129.63 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.5 m -128.86 143.65 50.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.499 ' HB2' HD11 ' A' ' 496' ' ' ILE . 83.9 tt0 -59.24 -37.67 78.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.555 ' H ' HG22 ' A' ' 455' ' ' THR . 90.1 m-20 -62.4 -41.95 99.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.7 78.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.639 ' O ' HD12 ' A' ' 463' ' ' LEU . 38.8 t -65.33 -37.73 80.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 464' ' ' THR . 49.6 ttt180 -58.33 -35.67 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -58.31 -37.67 75.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -67.7 -41.65 83.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.024 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 459' ' ' VAL . 5.2 mp -71.64 -43.0 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 460' ' ' ARG . 71.1 p -62.17 -26.08 68.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.071 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -74.13 -63.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.969 0.414 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -146.02 154.36 50.58 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 0.401 ' CB ' ' CD1' ' A' ' 507' ' ' ILE . 41.6 Cg_exo -56.87 133.6 59.05 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.583 2.189 . . . . 0.0 112.273 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -145.33 144.55 30.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 511' ' ' MET . 21.3 p -85.07 168.06 15.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.463 HG23 ' CE2' ' A' ' 513' ' ' PHE . 18.6 p -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.403 ' HG2' ' CB ' ' B' ' 950' ' ' ALA . 98.6 mttt -59.8 -36.73 77.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.67 -34.05 75.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.97 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 56.8 mt -78.02 -34.97 50.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 6.1 mt -78.33 -40.38 36.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.483 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -29.83 63.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.159 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -62.63 -36.66 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.026 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.677 ' CD2' HG21 ' A' ' 482' ' ' THR . 4.3 m-85 -127.18 30.44 5.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -69.34 -47.33 64.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 63.8 p -139.14 27.72 2.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -97.44 147.88 23.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -64.84 109.78 2.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.839 HG22 HG11 ' A' ' 452' ' ' VAL . 2.2 p -150.63 23.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 81.23 -58.0 4.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 40.0 mt -81.31 142.78 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 3.1 p -81.2 179.32 7.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 490' ' ' VAL . 14.8 m -58.32 -40.71 82.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.04 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -66.55 -46.21 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.549 ' O ' HG23 ' A' ' 492' ' ' VAL . 99.6 mm-40 -66.26 -35.17 79.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.595 ' O ' HD13 ' A' ' 493' ' ' LEU . 48.6 m -59.25 -46.02 89.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 486' ' ' SER . 33.9 t -64.42 -41.32 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -59.44 -44.82 92.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 488' ' ' GLN . 36.5 t -70.88 -49.79 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.205 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.623 ' HB3' HD11 ' B' ' 953' ' ' LEU . 8.6 mp -64.25 -35.5 81.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.77 88.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -75.17 -43.6 51.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 456' ' ' GLU . 5.2 tt -64.8 -44.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.892 ' O ' HD11 ' B' ' 957' ' ' LEU . 73.2 mt -71.63 -26.92 62.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.051 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' B' ' 957' ' ' LEU . 0.0 OUTLIER -47.43 -53.62 13.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.904 0.383 . . . . 0.0 111.366 -179.652 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -79.57 -15.23 58.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.859 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.687 HD22 HD23 ' A' ' 497' ' ' LEU . 44.6 tp -45.51 -55.15 6.53 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.486 ' HA ' HD23 ' B' ' 960' ' ' LEU . 54.4 t30 60.88 49.71 1.89 Allowed Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.764 0.316 . . . . 0.0 110.871 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.66 ' HG3' HD23 ' A' ' 500' ' ' LEU . 72.5 Cg_endo -75.43 166.26 29.03 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.626 2.217 . . . . 0.0 112.37 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -90.98 141.52 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -108.07 130.94 55.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -131.7 144.49 51.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.0 mtp -85.36 105.14 15.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.401 ' CD1' ' CB ' ' A' ' 467' ' ' PRO . 47.2 mt -118.1 123.54 71.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.78 41.83 24.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 59.19 33.52 22.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -142.86 153.16 42.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.563 ' O ' HG22 ' A' ' 469' ' ' THR . 59.9 ttp -84.77 126.15 33.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.805 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.493 ' CD2' HG23 ' A' ' 469' ' ' THR . 67.0 m80 -128.67 151.78 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.463 ' CE2' HG23 ' A' ' 470' ' ' THR . 24.1 m-85 -105.78 127.39 53.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 7.8 t -154.62 142.56 20.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -130.96 156.46 45.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.626 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -102.91 121.09 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.937 179.875 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 23.0 t 59.28 91.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.948 0.404 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 88.0 p -123.54 154.81 38.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.79 -76.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.94 -36.63 84.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.98 93.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.96 -43.37 95.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.64 -39.86 88.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.437 ' HE1' ' HB3' ' A' ' 486' ' ' SER . 98.2 mtp -62.0 -40.02 94.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.403 ' CB ' ' HG2' ' A' ' 471' ' ' LYS . . . -84.5 -28.36 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -56.65 -39.77 74.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -81.53 -42.26 20.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.764 HD21 HD13 ' A' ' 497' ' ' LEU . 9.5 tt -63.11 -41.96 99.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.449 ' HA ' HG21 ' A' ' 470' ' ' THR . 0.9 OUTLIER -68.88 -36.01 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -64.02 -30.96 72.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.55 -37.15 86.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.892 HD11 ' O ' ' A' ' 497' ' ' LEU . 5.2 mp -101.98 -9.96 20.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.495 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -57.82 -34.43 69.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 110.821 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -104.39 -21.63 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.155 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 501' ' ' ASN . 7.0 tp -54.13 -34.02 59.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.073 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 8.1 ttp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.895 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.764 0.316 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.469 ' HB ' HG22 ' A' ' 482' ' ' THR . 21.5 t -117.93 130.09 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . 0.574 ' OE1' HG23 ' A' ' 455' ' ' THR . 1.3 tm0? -113.9 116.24 28.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.41 ' H ' HG22 ' A' ' 454' ' ' VAL . 4.1 m -68.62 124.18 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.818 ' O ' HG23 ' A' ' 459' ' ' VAL . 23.4 p -131.38 152.76 50.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.648 ' N ' HD11 ' A' ' 496' ' ' ILE . 34.8 tt0 -65.95 -40.01 90.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -59.78 -42.39 93.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.02 78.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 455' ' ' THR . 39.6 t -61.4 -48.2 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -61.52 -32.51 72.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.07 -39.57 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.433 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 95.3 m-85 -70.64 -44.27 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.719 HD22 HD12 ' A' ' 515' ' ' LEU . 4.9 mp -68.96 -34.79 75.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.2 p -60.68 -27.49 67.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -72.82 -59.63 2.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -146.07 158.32 48.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.8 136.81 73.2 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.504 2.136 . . . . 0.0 112.208 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.427 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 87.8 mtp -136.19 150.27 48.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.572 ' O ' HD12 ' A' ' 473' ' ' LEU . 28.4 p -98.17 162.85 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.726 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.906 HG23 ' CE1' ' A' ' 513' ' ' PHE . 39.4 p -55.25 -45.3 76.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.103 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -62.21 -38.14 88.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . 0.427 ' OD2' ' HE3' ' A' ' 468' ' ' MET . 52.5 t0 -60.97 -39.85 91.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 469' ' ' THR . 4.5 mp -64.95 -40.82 95.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 474' ' ' LEU . 0.4 OUTLIER -66.62 -42.29 87.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -62.19 -30.3 70.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 477' ' ' PHE . 49.0 tptt -56.81 -31.03 64.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 476' ' ' LYS . 98.3 m-85 -148.0 42.26 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.47 HE22 ' HB1' ' B' ' 946' ' ' ALA . 51.3 tt0 -73.63 -69.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.061 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 59.3 p -114.25 28.2 8.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.236 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -90.65 147.98 22.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -69.4 101.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.469 HG22 ' HB ' ' A' ' 452' ' ' VAL . 72.4 p -130.17 6.71 4.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.319 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 94.67 -27.26 14.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.566 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 55.3 mt -108.08 145.47 34.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.83 0.347 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 22.9 m -64.02 160.3 18.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 4.6 t -58.62 -38.59 78.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -40.51 73.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.84 -33.8 75.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.5 ' O ' HD13 ' A' ' 493' ' ' LEU . 47.7 m -58.94 -40.86 85.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.53 HG22 HD21 ' A' ' 474' ' ' LEU . 28.6 t -61.45 -41.02 88.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -60.77 -46.25 91.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.6 t -69.17 -50.09 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 489' ' ' THR . 11.0 mp -62.7 -31.1 71.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.737 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -65.86 -41.19 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -77.46 -43.49 32.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.648 HD11 ' N ' ' A' ' 456' ' ' GLU . 5.8 tt -61.55 -44.15 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.071 0.462 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.856 HD13 HD21 ' B' ' 953' ' ' LEU . 3.1 mt -61.2 -40.77 95.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.63 ' O ' HD12 ' B' ' 960' ' ' LEU . 1.3 mtpt -47.66 -46.88 29.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.743 0.306 . . . . 0.0 111.414 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -79.92 -15.76 56.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.677 0.275 . . . . 0.0 111.368 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 515' ' ' LEU . 30.5 tp -47.93 -36.48 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.869 ' HA ' HD11 ' B' ' 960' ' ' LEU . 2.1 m-80 48.87 47.63 5.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.361 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.806 ' HG3' HD23 ' A' ' 500' ' ' LEU . 92.0 Cg_endo -79.15 176.97 9.18 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.342 2.028 . . . . 0.0 112.461 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -108.28 142.3 38.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.718 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 46.0 ptt85 -96.7 126.19 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.988 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -133.39 136.98 45.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.4 ttm -95.82 111.03 23.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.548 HG22 HD22 ' A' ' 508' ' ' ASN . 41.4 mt -119.27 119.13 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.548 HD22 HG22 ' A' ' 507' ' ' ILE . 2.9 m-80 57.69 43.32 22.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 61.4 36.86 17.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -138.88 151.69 47.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.558 ' O ' HG22 ' A' ' 469' ' ' THR . 63.6 mtt -85.35 125.42 32.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -132.28 146.25 51.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.906 ' CE1' HG23 ' A' ' 470' ' ' THR . 81.4 m-85 -111.17 138.96 46.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.8 p -121.46 156.38 32.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 500' ' ' LEU . 0.3 OUTLIER -146.89 141.61 26.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -131.99 119.34 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.923 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 4.0 m 59.27 107.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . 0.475 ' HB2' ' HB3' ' B' ' 946' ' ' ALA . 99.9 p -120.46 152.12 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.3 m -120.49 -74.86 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.17 -36.03 82.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' B' ' 943' ' ' SER . . . -63.55 -43.23 97.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -60.46 -40.03 89.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -63.21 -39.44 94.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 94.3 mtp -60.9 -39.33 88.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.66 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -58.45 -42.95 88.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.48 88.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.856 HD21 HD13 ' A' ' 497' ' ' LEU . 10.4 tt -63.32 -37.76 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.632 ' HG2' HG21 ' A' ' 470' ' ' THR . 97.7 mt-10 -62.75 -44.49 96.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -63.69 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.383 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . 0.737 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 75.2 mm-40 -63.91 -39.58 94.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 1.062 HD11 HD13 ' B' ' 960' ' ' LEU . 9.4 tp -101.03 -9.63 21.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.481 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -53.83 -41.56 67.52 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.827 0.346 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -68.41 -33.87 75.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.7 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 1.062 HD13 HD11 ' B' ' 957' ' ' LEU . 9.0 tt -59.41 -33.54 71.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.985 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . 0.529 ' OXT' HD23 ' B' ' 960' ' ' LEU . 3.9 tpp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 46.6 p30 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.797 0.332 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.7 t -111.88 133.9 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -120.94 156.6 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.97 133.39 56.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 41.3 p -126.21 154.97 42.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.869 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.1 tt0 -65.77 -34.99 79.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -58.15 -35.48 71.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.048 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.67 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.461 HG13 HD22 ' A' ' 473' ' ' LEU . 29.1 t -61.14 -41.67 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.694 ' HG3' HD13 ' A' ' 515' ' ' LEU . 56.0 ttm-85 -58.9 -39.65 82.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -61.82 -35.72 79.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -66.73 -44.74 80.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.063 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 515' ' ' LEU . 89.6 mt -66.2 -37.01 84.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.158 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -30.89 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -82.62 -56.55 3.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -146.05 146.78 29.57 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -55.93 143.28 82.86 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.564 2.176 . . . . 0.0 112.25 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 92.0 mmm -137.27 166.05 24.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.45 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.9 p -114.8 166.55 11.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.592 ' HB ' HD22 ' B' ' 953' ' ' LEU . 20.2 p -59.27 -46.4 88.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -60.71 -36.84 79.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -62.36 -35.23 78.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 497' ' ' LEU . 73.5 mt -58.44 -45.14 89.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.792 HD22 ' HE1' ' B' ' 949' ' ' MET . 88.2 mt -67.61 -34.91 77.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -60.28 -37.93 81.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -59.5 -36.39 75.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.71 66.35 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 479' ' ' THR . 48.8 tt0 -66.61 -50.42 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.7 OUTLIER -171.07 62.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -80.08 -74.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -154.39 28.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.003 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -65.65 -29.52 70.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.86 -27.81 18.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 56.4 mt -97.56 142.18 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.822 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 46.0 m -62.29 166.22 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 490' ' ' VAL . 30.3 m -56.63 -39.49 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.0 -42.66 94.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.775 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.95 -37.69 84.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 33.7 m -59.84 -36.9 77.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 486' ' ' SER . 40.9 t -60.86 -36.52 72.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -58.75 -46.3 87.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.08 -46.13 46.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.779 HD12 HD11 ' B' ' 953' ' ' LEU . 0.2 OUTLIER -64.72 -30.15 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.99 -37.57 69.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -77.45 -42.41 36.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.869 HD11 ' N ' ' A' ' 456' ' ' GLU . 5.9 tt -59.89 -44.57 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.047 0.451 . . . . 0.0 110.839 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.724 ' CD1' HD21 ' B' ' 953' ' ' LEU . 9.7 mt -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.958 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.512 ' O ' ' CD1' ' B' ' 960' ' ' LEU . 16.3 tptt -47.71 -45.19 28.35 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 120.892 0.377 . . . . 0.0 111.242 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -80.13 -15.99 55.9 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.389 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.592 ' CD2' HD23 ' A' ' 497' ' ' LEU . 13.6 tp -56.08 -55.0 38.24 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.9 ' HA ' HD21 ' B' ' 960' ' ' LEU . 2.3 t-20 61.41 53.29 2.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.62 ' CD ' HD21 ' B' ' 957' ' ' LEU . 15.2 Cg_exo -68.12 176.01 5.96 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.407 2.071 . . . . 0.0 112.289 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -111.71 130.44 55.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -68.42 138.59 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . 0.798 ' HD2' HD11 ' A' ' 507' ' ' ILE . 24.8 ttmt -151.01 122.12 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.794 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 88.6 mtp -85.55 107.48 17.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.798 HD11 ' HD2' ' A' ' 505' ' ' LYS . 46.1 mt -125.53 126.84 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 58.15 41.21 24.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 58.34 38.79 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 6.9 ttpm? -145.73 155.18 42.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 60.7 ttp -82.67 128.54 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.024 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.45 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 67.2 m80 -134.34 157.57 46.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -111.76 138.17 48.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.813 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 92.9 p -131.63 147.78 52.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.764 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.694 HD13 ' HG3' ' A' ' 460' ' ' ARG . 19.6 mt -122.16 145.4 48.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -125.22 94.81 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.789 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.403 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 99.0 p -119.95 150.55 40.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 33.7 t 56.76 25.39 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 1.4 m -92.71 -40.0 10.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.53 -37.94 85.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -67.57 -49.3 63.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.07 -43.05 99.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -64.45 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.792 ' HE1' HD22 ' A' ' 474' ' ' LEU . 15.9 ttt -60.47 -41.96 95.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . . . . . . . . . . . -85.97 -29.43 23.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -58.01 -48.03 81.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.035 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . 0.411 ' HB3' HG11 ' A' ' 490' ' ' VAL . . . -67.74 -40.34 84.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.779 HD11 HD12 ' A' ' 493' ' ' LEU . 7.9 tt -61.41 -55.72 28.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.483 ' CB ' HG21 ' A' ' 470' ' ' THR . 34.1 tt0 -63.49 -34.78 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.101 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -60.0 -37.74 80.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.374 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.58 -47.59 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.192 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.895 HD11 HD13 ' B' ' 960' ' ' LEU . 10.5 tp -84.49 -9.68 58.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.46 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -53.85 -47.89 70.53 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -67.9 -32.43 72.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.524 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.9 HD21 ' HA ' ' A' ' 501' ' ' ASN . 1.2 tt -63.8 -34.92 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.754 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 3.8 ptp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.897 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.4 t -116.81 135.52 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -116.96 158.42 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.41 HG11 HD21 ' A' ' 493' ' ' LEU . 21.9 t -107.9 133.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 459' ' ' VAL . 51.7 m -123.97 135.93 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.436 ' HG3' HG23 ' A' ' 496' ' ' ILE . 84.4 tt0 -62.11 -38.35 88.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 455' ' ' THR . 92.7 m-20 -59.95 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.059 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.37 94.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 455' ' ' THR . 39.0 t -64.23 -41.68 93.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 464' ' ' THR . 14.9 ttp-105 -59.13 -38.1 78.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -58.12 -42.65 86.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -68.02 -44.63 76.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.648 HD21 HD21 ' A' ' 473' ' ' LEU . 39.1 mt -68.9 -37.18 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 460' ' ' ARG . 17.9 p -67.69 -32.16 72.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -53.07 7.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.02 138.06 13.42 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.47 131.75 19.41 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.525 2.15 . . . . 0.0 112.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.685 ' SD ' HD23 ' A' ' 473' ' ' LEU . 8.2 ptp -132.52 156.9 45.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.656 HG22 ' CD2' ' A' ' 512' ' ' HIS . 21.5 p -75.17 165.5 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.606 HG21 ' HG2' ' B' ' 954' ' ' GLU . 32.1 p -58.33 -43.89 88.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.71 ' HG2' ' HB2' ' B' ' 950' ' ' ALA . 91.8 mttt -57.51 -40.65 79.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -63.13 -34.52 77.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.705 HD13 HD21 ' A' ' 497' ' ' LEU . 55.9 mt -60.09 -43.5 95.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.64 -47.58 62.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . 0.577 ' HA ' HG23 ' A' ' 479' ' ' THR . 37.5 tttp -55.86 -35.42 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.419 ' HG2' ' CE2' ' A' ' 477' ' ' PHE . 3.5 ttmm -64.89 -33.0 74.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.419 ' CE2' ' HG2' ' A' ' 476' ' ' LYS . 76.9 m-85 -146.24 71.16 1.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.135 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -177.24 -59.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.577 HG23 ' HA ' ' A' ' 475' ' ' LYS . 60.0 p -60.18 -30.35 69.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -77.24 163.22 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -63.6 82.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 38.8 p -94.77 -28.34 15.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 102.57 -26.65 23.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -94.07 143.98 25.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.4 m -60.85 151.78 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.564 ' O ' HG23 ' A' ' 490' ' ' VAL . 59.5 p -61.95 -34.88 76.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -65.38 -44.06 88.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 492' ' ' VAL . 99.6 mm-40 -65.43 -36.78 84.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.492 ' O ' HD23 ' A' ' 493' ' ' LEU . 38.5 m -60.05 -42.88 95.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 486' ' ' SER . 38.4 t -62.76 -44.0 99.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.23 -45.23 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 488' ' ' GLN . 37.3 t -71.18 -46.8 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 489' ' ' THR . 4.1 mm? -65.75 -35.3 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.68 -41.76 98.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.202 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -66.49 -38.07 86.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.2 OUTLIER -77.99 -51.13 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.991 HD13 HD21 ' B' ' 953' ' ' LEU . 8.6 mt -59.08 -57.01 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.748 ' O ' HD11 ' B' ' 960' ' ' LEU . 0.0 OUTLIER -48.06 -32.36 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.061 -179.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . 0.498 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 38.4 tpt85 -79.76 -25.91 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.468 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 497' ' ' LEU . 4.9 mt -55.91 -43.82 77.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.955 ' HA ' HD13 ' B' ' 960' ' ' LEU . 7.2 t-20 58.18 51.73 4.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.813 0.34 . . . . 0.0 110.716 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.761 ' HD2' HD22 ' B' ' 957' ' ' LEU . 60.3 Cg_endo -71.96 153.17 58.05 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.696 2.264 . . . . 0.0 112.43 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.98 143.26 55.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.743 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.51 117.5 31.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -134.11 140.84 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.5 mtp -100.31 115.52 30.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.3 mt -121.19 125.01 73.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.76 42.13 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 58.97 39.67 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.09 148.24 36.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.1 ttm -76.97 119.12 20.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.656 ' CD2' HG22 ' A' ' 469' ' ' THR . 47.5 m80 -129.52 144.38 51.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 98.1 m-85 -107.94 132.6 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.7 m -123.72 146.87 47.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.009 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.593 HD12 HD13 ' A' ' 463' ' ' LEU . 6.1 mt -131.78 141.07 49.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -124.96 95.01 4.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.947 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 15.4 m 60.64 54.34 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . 0.669 ' HB3' ' HB3' ' B' ' 946' ' ' ALA . 36.7 t -112.56 123.05 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 85.9 p -68.7 -36.45 78.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -75.48 -38.74 59.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' B' ' 943' ' ' SER . . . -65.66 -37.94 87.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.76 -35.94 77.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.67 -39.44 84.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . . . . . . . . . 66.1 mtm -63.62 -37.38 87.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.71 ' HB2' ' HG2' ' A' ' 471' ' ' LYS . . . -67.71 -43.02 81.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -59.1 -41.04 87.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.99 63.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.991 HD21 HD13 ' A' ' 497' ' ' LEU . 7.4 tt -66.42 -40.35 89.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.606 ' HG2' HG21 ' A' ' 470' ' ' THR . 46.0 mt-10 -66.07 -39.72 90.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -69.48 -32.75 71.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.187 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -64.5 -49.58 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.828 HD23 ' CD1' ' B' ' 960' ' ' LEU . 4.2 mt -69.8 -28.5 65.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -63.12 -16.36 59.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.394 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.81 -32.77 73.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.677 0.275 . . . . 0.0 111.092 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.955 HD13 ' HA ' ' A' ' 501' ' ' ASN . 1.7 mt -58.88 -34.81 72.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.972 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.828 0.347 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.8 t -116.56 132.45 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -121.13 150.57 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.65 127.75 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 459' ' ' VAL . 48.8 m -129.15 140.85 51.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.489 ' HB2' HD13 ' A' ' 496' ' ' ILE . 84.4 tt0 -60.18 -38.32 82.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.514 ' H ' HG22 ' A' ' 455' ' ' THR . 49.7 t0 -60.27 -40.95 92.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -66.47 -35.31 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.651 ' O ' HD12 ' A' ' 463' ' ' LEU . 39.7 t -61.46 -42.86 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.04 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.66 -36.0 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -58.74 -40.27 83.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.985 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -68.46 -44.47 74.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 459' ' ' VAL . 1.0 OUTLIER -65.94 -35.23 80.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.8 p -68.49 -30.03 68.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -79.34 -60.44 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -145.98 141.38 16.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 0.414 ' HG3' HD11 ' A' ' 507' ' ' ILE . 35.9 Cg_endo -65.04 139.02 59.4 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.516 2.144 . . . . 0.0 112.162 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 76.3 mtp -138.35 152.94 48.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.871 HG23 ' CD2' ' A' ' 512' ' ' HIS . 7.0 p -81.21 162.82 23.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.713 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.722 HG21 ' HB3' ' B' ' 954' ' ' GLU . 37.2 p -57.07 -44.37 83.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.052 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.423 ' CB ' ' HB2' ' B' ' 950' ' ' ALA . 37.1 ttmt -58.21 -45.78 87.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -61.72 -37.05 82.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.01 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.678 HD13 HD11 ' A' ' 497' ' ' LEU . 86.8 mt -65.04 -43.66 91.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 1.04 HD21 HG22 ' A' ' 490' ' ' VAL . 28.2 tp -65.93 -50.54 64.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.998 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -32.03 68.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -61.23 -37.14 81.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.757 ' O ' HG21 ' A' ' 482' ' ' THR . 98.7 m-85 -118.44 25.24 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.227 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.521 ' HA ' HG21 ' A' ' 489' ' ' THR . 5.6 tm0? -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 69.0 p -93.97 20.19 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.253 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -95.58 -69.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.49 37.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.757 HG21 ' O ' ' A' ' 477' ' ' PHE . 82.3 p -77.74 129.33 35.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -60.94 -22.71 60.53 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.59 HD22 ' N ' ' A' ' 484' ' ' LEU . 2.7 mm? -80.01 148.81 30.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.943 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 29.6 t -62.11 164.58 6.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 490' ' ' VAL . 87.1 p -58.98 -39.69 82.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.07 -43.2 71.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -66.1 -37.53 85.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.549 HG22 HD13 ' A' ' 493' ' ' LEU . 24.3 m -59.45 -41.47 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 1.04 HG22 HD21 ' A' ' 474' ' ' LEU . 25.4 t -62.88 -42.03 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -57.7 -39.16 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.8 t -73.41 -54.71 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.285 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 497' ' ' LEU . 2.2 mp -62.94 -45.93 90.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.221 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.442 ' HB1' ' CD ' ' B' ' 956' ' ' GLU . . . -56.85 -40.18 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.416 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -59.9 -42.04 92.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 456' ' ' GLU . 0.8 OUTLIER -78.26 -42.43 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.34 179.553 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.94 HD13 HD12 ' A' ' 500' ' ' LEU . 4.0 mm? -56.52 -39.94 74.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.271 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.86 ' O ' HD13 ' B' ' 960' ' ' LEU . 0.0 OUTLIER -65.35 -38.82 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.035 -0.266 . . . . 0.0 111.041 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . 0.543 ' N ' ' HG3' ' A' ' 498' ' ' LYS . 76.1 ttt-85 -80.08 -15.94 56.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.571 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.94 HD12 HD13 ' A' ' 497' ' ' LEU . 14.1 mt -53.79 -37.73 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.938 ' HA ' HD21 ' B' ' 960' ' ' LEU . 2.6 m120 59.15 46.16 1.41 Allowed Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.692 0.282 . . . . 0.0 110.738 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 73.4 Cg_endo -73.65 -178.07 3.51 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.49 2.127 . . . . 0.0 112.392 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.41 160.3 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -107.03 127.41 53.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -132.82 143.75 49.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.17 107.05 18.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.414 HD11 ' HG3' ' A' ' 467' ' ' PRO . 43.5 mt -122.27 125.25 72.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 18.7 m120 57.96 41.81 23.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 58.87 35.91 24.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -140.55 153.51 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.729 ' O ' HG22 ' A' ' 469' ' ' THR . 64.9 mtt -85.13 122.44 29.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.871 ' CD2' HG23 ' A' ' 469' ' ' THR . 66.6 m80 -127.73 162.45 26.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.517 ' CE2' HG23 ' A' ' 470' ' ' THR . 42.9 m-85 -112.22 142.1 45.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.2 t -144.08 143.49 31.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.37 123.54 28.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -107.39 130.32 54.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.849 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 32.2 t -120.24 142.8 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 49.0 m 59.07 41.67 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 23.7 m -58.93 -36.23 74.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.07 -35.29 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.17 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.17 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.84 -40.69 89.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.96 -33.72 73.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.678 ' HB3' HD23 ' A' ' 474' ' ' LEU . 99.1 mtp -59.4 -36.83 76.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 471' ' ' LYS . . . -86.07 -41.04 15.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.314 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' B' ' 955' ' ' ALA . 57.5 mtmt -57.25 -36.77 71.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.165 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.43 75.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 0.667 HD21 ' HG ' ' A' ' 497' ' ' LEU . 8.3 tt -66.2 -44.48 83.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.164 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.722 ' HB3' HG21 ' A' ' 470' ' ' THR . 13.7 pt-20 -74.77 -29.34 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.071 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' B' ' 951' ' ' LYS . . . -59.73 -34.7 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.324 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . 0.442 ' CD ' ' HB1' ' A' ' 494' ' ' ALA . 78.6 mt-10 -73.53 -49.29 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.19 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.785 ' CD2' HD22 ' B' ' 960' ' ' LEU . 5.8 mt -60.43 -26.28 66.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.808 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -57.49 -40.38 78.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -67.87 -48.15 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.938 HD21 ' HA ' ' A' ' 501' ' ' ASN . 0.1 OUTLIER -68.44 -33.49 74.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.53 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 23.8 ttp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.919 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 45.5 p30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.774 0.321 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -118.92 141.59 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -127.76 169.97 13.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.1 t -96.92 138.64 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 457' ' ' ASP . 48.3 m -122.46 144.42 49.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -58.68 -36.93 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.027 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.557 ' H ' HG22 ' A' ' 455' ' ' THR . 21.5 t70 -59.29 -37.3 77.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.89 79.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.723 HG11 HD21 ' A' ' 497' ' ' LEU . 33.5 t -63.4 -42.37 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.104 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -59.88 -35.63 75.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -60.32 -39.7 87.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.026 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -69.47 -42.11 75.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.51 -35.96 81.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -30.38 71.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -75.47 -65.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 467' ' ' PRO . 0.0 OUTLIER -146.1 140.42 15.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.872 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 466' ' ' LYS . 38.0 Cg_exo -57.04 130.85 41.89 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.453 2.102 . . . . 0.0 112.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.746 ' HE3' HD23 ' A' ' 473' ' ' LEU . 46.0 mtm -138.84 148.68 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 472' ' ' ASP . 6.2 t -83.55 164.88 19.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.82 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.641 HG21 ' HA ' ' B' ' 954' ' ' GLU . 36.7 p -52.71 -44.84 66.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.215 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' B' ' 950' ' ' ALA . 45.4 tttm -58.73 -47.61 84.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . 0.537 ' H ' HG23 ' A' ' 469' ' ' THR . 96.0 m-20 -61.65 -36.96 82.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.013 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.746 HD23 ' HE3' ' A' ' 468' ' ' MET . 88.7 mt -61.63 -41.97 98.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.706 HD22 ' CE ' ' B' ' 949' ' ' MET . 10.2 mt -68.62 -35.35 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -60.57 -41.28 94.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -63.01 -35.3 79.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CE2' HG22 ' A' ' 482' ' ' THR . 0.3 OUTLIER -132.44 55.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.781 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.401 ' O ' ' HB ' ' A' ' 479' ' ' THR . 31.8 tt0 -60.8 -55.08 37.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 478' ' ' GLN . 3.9 t 178.89 39.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -75.46 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -109.13 23.03 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.906 HG22 ' CE2' ' A' ' 477' ' ' PHE . 71.3 p -77.16 -38.25 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 95.62 -27.41 15.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.3 mt -108.12 155.41 20.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.2 t -59.5 165.67 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.79 ' O ' HG23 ' A' ' 490' ' ' VAL . 89.6 p -59.18 -31.65 69.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.76 -46.08 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.791 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -68.46 -37.28 80.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.602 HG22 ' CD1' ' A' ' 493' ' ' LEU . 24.5 m -59.59 -40.81 88.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 486' ' ' SER . 38.9 t -67.29 -33.8 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.98 -58.1 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 495' ' ' GLN . 26.3 t -65.42 -28.96 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.182 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.699 ' HB3' HD11 ' B' ' 953' ' ' LEU . 16.5 mt -75.18 -38.47 60.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.586 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . 0.775 ' HB1' ' HG3' ' B' ' 956' ' ' GLU . . . -62.91 -43.26 99.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 492' ' ' VAL . 0.4 OUTLIER -72.55 -46.69 53.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.02 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.4 tt -63.01 -44.55 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 0.0 110.928 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 1.056 HD13 HD21 ' B' ' 953' ' ' LEU . 12.2 mt -70.39 -26.99 63.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . 0.726 ' O ' HD13 ' B' ' 960' ' ' LEU . 14.5 tptp -56.47 -51.06 69.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -79.17 -15.03 58.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.421 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.611 HD22 HD23 ' A' ' 497' ' ' LEU . 39.7 tp -45.33 -41.41 8.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.621 ' HA ' HD21 ' B' ' 960' ' ' LEU . 11.0 t-20 56.44 49.19 4.02 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.774 0.321 . . . . 0.0 110.965 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.726 ' HG3' HD21 ' B' ' 957' ' ' LEU . 71.7 Cg_endo -75.66 -168.31 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.692 2.261 . . . . 0.0 112.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -108.53 161.64 14.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.588 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -118.83 131.5 56.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.987 0.422 . . . . 0.0 111.147 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -139.88 139.39 36.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.714 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.8 ptp -92.06 99.73 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 40.0 mt -116.82 128.32 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.3 t30 58.98 42.3 19.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 59.26 31.09 20.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -141.71 151.31 42.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 9.9 mtt -84.66 119.41 25.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -115.77 166.5 11.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.515 ' CE2' HG23 ' A' ' 470' ' ' THR . 29.9 m-85 -110.77 139.18 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 96.9 p -140.79 155.17 46.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.3 110.19 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -92.86 132.68 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.943 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 941' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 942' ' ' SER . . . . . . . . . . . . . 45.6 m -62.39 153.62 30.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.334 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 943' ' ' SER . . . . . . . . . . . . . 91.5 p -137.43 157.84 45.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 944' ' ' SER . . . . . . . . . . . . . 17.7 m -150.44 -58.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 945' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -74.54 -29.93 61.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 946' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.93 96.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 947' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -64.17 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 948' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -61.87 -30.95 71.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 949' ' ' MET . . . . . 0.706 ' CE ' HD22 ' A' ' 474' ' ' LEU . 22.9 ttt -58.37 -38.56 77.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 950' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 471' ' ' LYS . . . -86.11 -46.63 10.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.408 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 951' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -57.22 -39.37 75.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.2 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 952' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.94 81.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . 1.056 HD21 HD13 ' A' ' 497' ' ' LEU . 9.3 tt -67.32 -40.4 85.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 954' ' ' GLU . . . . . 0.641 ' HA ' HG21 ' A' ' 470' ' ' THR . 71.2 tt0 -63.21 -45.35 92.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 955' ' ' ALA . . . . . . . . . . . . . . . -56.79 -28.35 61.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.44 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 956' ' ' GLU . . . . . 0.775 ' HG3' ' HB1' ' A' ' 494' ' ' ALA . 76.6 mm-40 -73.11 -63.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.111 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 957' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 497' ' ' LEU . 8.2 tp -63.6 -29.04 70.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.185 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.24 -31.16 65.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 959' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -67.87 -37.65 82.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 960' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 498' ' ' LYS . 0.4 OUTLIER -72.61 -30.42 64.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 961' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.437 -179.876 . . . . . . . . 1 1 . 1 stop_ save_