data_1tkn_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 1tkn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.955 0.407 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -66.52 -32.51 73.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.59 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.66 -41.7 87.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.663 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' A' ' 507' ' ' HIS . 1.5 mt -66.15 -34.31 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.675 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -65.03 -36.96 86.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.807 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -61.06 -53.13 61.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -55.0 -34.36 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . 0.428 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 67.2 ttp85 -81.18 -38.68 26.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -62.62 1.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.558 . . . . 0.0 110.137 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 2.2 pp -53.35 -37.1 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.834 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.72 92.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.062 0.458 . . . . 0.0 110.255 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.474 HD22 ' CE2' ' A' ' 497' ' ' TYR . 1.1 tm? -72.44 -50.53 25.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.643 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -27.42 68.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.483 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -69.97 -48.88 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.515 ' CG ' HD22 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.49 -34.43 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 17.7 mm -60.51 -33.95 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.348 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -59.03 -46.36 88.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.956 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.4 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.18 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.4 mt -60.16 -42.99 96.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.349 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -83.85 -13.3 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.512 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -36.11 -52.78 0.78 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 484' ' ' PRO . 59.1 t 51.56 94.73 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 73.9 Cg_endo -75.31 133.63 32.23 Favored 'Cis proline' 0 C--N 1.348 0.51 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.235 -0.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -78.95 150.39 23.43 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.354 2.036 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.426 ' O ' HG11 ' A' ' 490' ' ' VAL . 0.3 OUTLIER -99.1 86.49 0.53 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.96 -22.0 13.4 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.411 2.074 . . . . 0.0 112.256 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -27.83 23.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.277 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.429 ' O ' ' CE ' ' A' ' 493' ' ' MET . 13.7 t-160 -86.37 -36.56 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 486' ' ' ARG . 3.8 m -65.58 -35.95 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.709 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.463 ' CD1' HD21 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -66.58 -25.92 66.86 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.124 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 6.8 t30 -66.06 -59.44 3.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.429 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.11 -31.04 17.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.606 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 476' ' ' TYR . 3.7 mm? -61.02 -51.43 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.451 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 6.4 ptmt -59.26 -28.3 66.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.713 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.451 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 1.8 mmmt -77.75 -47.72 18.34 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.474 ' CE2' HD22 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -61.24 -36.96 81.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.833 179.344 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . 0.402 ' HA ' ' HG2' ' A' ' 501' ' ' GLU . 93.3 t -63.86 -51.02 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.637 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -25.79 41.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.639 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.14 35.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.857 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 502' ' ' GLN . 1.2 pt-20 -60.27 -28.37 68.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 7.5 mt-30 -65.89 -48.24 72.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.456 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.66 -33.24 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.493 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.11 -46.5 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -57.53 -50.02 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -62.8 -29.99 71.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.481 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . 0.413 ' CD2' HD11 ' A' ' 465' ' ' LEU . 1.3 t-80 -68.29 -32.96 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.432 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 33.5 m -64.1 -44.2 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.631 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -60.71 -36.97 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -35.41 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.527 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -57.09 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -32.79 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.373 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -61.77 -55.64 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.424 ' CG2' ' HD2' ' A' ' 522' ' ' LYS . 8.6 p -63.06 -28.86 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -69.46 -23.29 63.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.044 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' MET . . . . . 0.403 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.4 OUTLIER -88.64 -47.59 8.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 110.546 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 517' ' ' MET . 23.4 m -79.4 -46.77 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.8 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.404 ' HB3' ' CG ' ' A' ' 522' ' ' LYS . 6.4 m-20 -127.29 74.29 77.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.1 -32.7 83.49 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.681 2.254 . . . . 0.0 112.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -56.97 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.067 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . 0.424 ' HD2' ' CG2' ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.59 -27.4 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.77 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.45 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -51.04 -41.76 60.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.738 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.71 -30.21 64.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.928 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -78.61 -33.16 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.45 HG12 ' HA ' ' A' ' 523' ' ' ALA . 1.4 pt -83.64 -12.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.69 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.527 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 8.2 mtp85 -42.61 -48.59 5.46 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 0.0 111.342 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.1 m -58.88 -32.66 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.13 -47.48 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.293 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 60.3 t -61.24 -32.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.231 0.539 . . . . 0.0 109.969 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.418 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 0.4 OUTLIER -62.77 -53.98 46.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.476 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 14.3 t -55.34 -26.93 43.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.41 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -49.59 77.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.124 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.58 -46.08 91.38 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.095 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -61.62 -40.12 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.062 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.431 HG12 ' CG ' ' A' ' 540' ' ' ARG . 24.6 t -57.83 -36.42 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.94 -54.68 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -40.21 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.25 -49.73 76.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.431 ' CG ' HG12 ' A' ' 536' ' ' VAL . 18.7 mmt85 -58.6 -36.05 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.324 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 4.0 ttm -56.47 -35.0 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.299 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -70.49 -32.88 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.498 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -66.45 -41.96 88.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 2.9 m -60.43 -39.14 86.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.442 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 79.4 mt -61.48 -35.37 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 t -65.74 -36.97 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.0 -44.97 95.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.43 ' HB3' ' OH ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -79.93 -32.05 40.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.897 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 545' ' ' LEU . 2.4 m-85 -54.28 -24.17 17.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.062 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -47.24 -29.12 2.21 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-O 121.07 0.462 . . . . 0.0 110.044 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.9 t -104.67 78.05 0.35 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.866 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -45.97 -29.82 6.5 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.762 2.308 . . . . 0.0 112.422 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.99 -54.06 14.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 78.2 t -75.06 -41.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -52.93 -34.61 56.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.998 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -33.09 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.36 -42.99 58.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.478 . . . . 0.0 110.313 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -72.06 -36.85 58.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.502 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -61.52 -41.55 97.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -48.51 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.12 -34.12 56.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.602 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.483 ' HA ' HD21 ' A' ' 565' ' ' LEU . 2.6 t -63.54 -54.54 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.946 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.3 t0 -59.43 -35.3 73.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.496 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.9 mt-10 -72.79 -25.01 61.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.329 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -78.85 -31.78 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.568 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.68 -16.72 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.496 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.6 mt-30 -52.53 -44.92 66.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.975 0.417 . . . . 0.0 110.604 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -60.7 -30.27 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.918 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.09 0.471 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.44 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 13.1 mmm -66.17 -42.96 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.83 -34.5 74.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -74.86 -38.22 62.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -62.11 -52.88 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.0 ptm85 -56.73 -34.2 67.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -79.83 -42.45 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -61.18 2.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 0.0 110.275 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.58 -36.96 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.953 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.401 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -66.22 -39.27 89.49 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.01 0.433 . . . . 0.0 110.344 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.432 HD22 ' CE2' ' A' ' 476' ' ' TYR . 1.1 tm? -74.64 -44.77 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.37 -24.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.503 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -71.74 -47.56 52.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.464 ' CG ' HD22 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.11 -38.12 87.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 109.971 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 17.3 mm -57.52 -33.66 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.347 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.0 m -60.37 -46.32 90.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.991 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.54 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.271 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.6 mt -59.05 -42.54 90.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.292 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -90.89 -13.33 33.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.511 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -34.16 -56.88 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 61.9 t 50.41 96.58 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.452 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.23 134.39 30.2 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.659 -1.392 . . . . 0.0 112.076 -0.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -85.4 148.52 10.15 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.516 2.144 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -102.47 82.27 0.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.36 -23.48 10.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.618 2.212 . . . . 0.0 112.308 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -26.83 22.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -86.06 -36.73 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.23 -39.75 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.465 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -62.88 -24.69 67.94 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.349 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.414 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 49.4 t30 -66.98 -57.99 5.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -50.65 -30.93 14.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 0.0 110.772 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.464 HD22 ' CG ' ' A' ' 476' ' ' TYR . 3.6 mm? -62.05 -51.53 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 7.9 ptmt -58.76 -29.46 66.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.043 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.418 ' CD ' ' HA ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -77.88 -42.67 32.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.102 179.381 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.426 ' CD2' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.27 -34.1 76.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.231 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.62 -50.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -27.14 46.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.3 79.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.518 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.02 -45.87 90.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.309 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.41 -37.36 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.7 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -68.1 -32.58 72.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.28 -42.32 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -42.82 96.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.15 -29.0 70.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.443 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.497 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 52.9 m -66.44 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.495 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.347 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.69 -39.37 91.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -49.35 77.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.5 -42.78 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.027 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.85 -44.03 51.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.07 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -61.57 -54.96 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.409 ' CG1' ' CD1' ' A' ' 526' ' ' ILE . 13.2 p -62.08 -22.52 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -78.04 -23.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 22.0 mtm -88.11 -19.73 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.291 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 16.7 m -113.58 -45.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.78 78.89 39.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.38 -52.03 6.34 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.578 2.186 . . . . 0.0 112.314 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -58.7 -52.22 66.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.788 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -38.35 82.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.22 -31.27 61.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.026 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.56 59.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 526' ' ' ILE . 0.0 OUTLIER -73.66 -38.55 64.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.186 179.535 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.478 HG12 ' HA ' ' A' ' 523' ' ' ALA . 48.4 pt -74.7 -10.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.779 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -44.77 2.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 111.704 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 14.3 m -78.01 -30.83 50.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.433 ' HA ' HG22 ' A' ' 532' ' ' THR . 1.3 tt0 -74.62 -46.71 36.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.454 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.59 -34.21 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.037 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.416 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 10.1 mmt -66.93 -51.25 57.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.488 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 529' ' ' GLN . 14.7 t -58.7 -26.94 64.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.906 0.384 . . . . 0.0 110.139 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -50.71 72.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -60.2 -45.95 91.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.06 0.457 . . . . 0.0 110.339 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 531' ' ' MET . 9.1 mtp85 -61.14 -39.91 91.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.086 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 540' ' ' ARG . 40.6 t -56.12 -40.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -54.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -76.1 -40.84 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.294 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.73 -54.29 47.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.437 ' HG3' HG13 ' A' ' 536' ' ' VAL . 36.9 mtp180 -56.02 -35.88 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.57 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 22.0 ttm -56.47 -35.69 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.204 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -69.21 -32.63 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.388 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -62.78 -38.45 90.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.56 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 7.2 m -63.54 -43.08 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.428 ' O ' HD11 ' A' ' 548' ' ' LEU . 46.2 mt -56.72 -33.84 66.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -68.42 -36.55 79.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.96 0.41 . . . . 0.0 110.645 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.1 -40.36 95.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -84.97 -31.31 23.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.866 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 545' ' ' LEU . 2.5 m-85 -55.19 -23.53 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.144 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -47.73 -28.89 2.69 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.112 0.482 . . . . 0.0 110.009 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.13 77.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.872 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.83 -29.41 5.72 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.868 2.378 . . . . 0.0 112.526 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.18 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 84.2 t -74.85 -42.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.401 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -51.41 -35.79 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.547 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -73.15 -51.01 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.44 -46.53 88.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 pp -68.67 -37.47 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.557 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -60.22 -35.3 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -66.28 -52.06 51.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.73 -30.85 61.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.599 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.581 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.4 t -64.09 -57.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.2 -34.35 66.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.468 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 38.2 mt-10 -71.91 -23.72 61.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.1 OUTLIER -80.1 -32.48 39.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.464 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.434 ' HG ' ' HG ' ' A' ' 565' ' ' LEU . 2.2 mt -86.57 -15.81 38.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.468 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 21.0 mt-30 -51.64 -44.68 63.06 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.508 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.32 -32.26 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.85 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.879 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.014 0.435 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.12 71.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.617 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.2 mtp -64.76 -48.09 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.679 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.89 -33.26 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.478 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -52.13 58.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.657 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -55.41 -42.04 73.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.807 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -59.42 -29.89 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -83.06 -42.17 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -61.73 -60.49 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.199 0.523 . . . . 0.0 109.875 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.28 -36.3 68.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.613 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.35 -42.14 84.01 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.463 HD21 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -69.55 -47.14 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 179.27 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.14 -27.58 69.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.329 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -69.81 -48.97 57.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.454 ' CE2' HD22 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -64.68 -35.62 81.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.853 0.358 . . . . 0.0 110.25 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 15.9 mm -60.21 -33.56 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.8 m -58.28 -47.01 84.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.069 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.08 -32.79 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.202 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.7 mt -58.73 -42.46 88.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 482' ' ' ALA . 82.2 mm-40 -87.86 -11.98 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.245 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -29.85 -53.47 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 52.2 t 46.17 96.37 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.627 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.18 135.19 38.73 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.446 -1.481 . . . . 0.0 112.222 -0.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.9 153.18 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.502 2.135 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -112.68 80.56 3.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -46.35 -25.6 3.35 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.703 2.269 . . . . 0.0 112.801 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -25.79 23.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.407 ' O ' ' CE ' ' A' ' 493' ' ' MET . 6.5 t-160 -87.3 -35.5 18.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 3.8 m -64.2 -40.52 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.735 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -53.47 -29.61 36.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.003 0.43 . . . . 0.0 110.163 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 1.2 t30 -70.89 -46.38 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.436 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -57.73 -35.22 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 476' ' ' TYR . 3.8 mm? -60.72 -45.76 93.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.429 ' HG2' HD11 ' A' ' 565' ' ' LEU . 9.0 mtpt -48.7 -44.73 38.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.888 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -61.08 -51.36 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.681 -179.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.463 ' CE1' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -65.19 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 109.959 179.744 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 69.3 t -70.79 -48.14 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -24.02 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.52 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -72.04 -42.1 66.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.46 -47.18 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.97 -41.26 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -64.22 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.346 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.76 -42.13 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.507 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.417 ' N ' HD11 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -58.34 -43.1 88.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.434 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -69.99 -28.5 65.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -72.23 -35.49 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.225 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 96.8 m -63.0 -38.08 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.226 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.407 ' CD2' ' CD2' ' A' ' 534' ' ' LEU . 0.3 OUTLIER -59.18 -51.89 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.764 179.538 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -52.64 -38.48 60.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -62.31 -38.38 89.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 530' ' ' VAL . 0.0 OUTLIER -61.86 -55.28 31.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.99 -37.65 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.337 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -62.87 -56.01 21.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 519' ' ' ASP . 7.6 p -60.56 -22.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -74.71 -26.33 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 74.0 mtm -89.63 -15.29 33.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 17.9 m -116.16 -47.1 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.698 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 515' ' ' VAL . 6.7 t0 -127.88 73.66 78.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.28 -34.22 93.93 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.613 2.209 . . . . 0.0 112.203 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -62.73 -55.82 23.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -28.66 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.36 -36.06 63.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.76 -29.35 63.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.682 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -75.58 -33.91 60.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 35.5 pt -79.1 -14.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.709 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.501 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -40.92 -47.85 3.04 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 33.4 m -74.71 -34.33 62.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.16 -49.23 37.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.679 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.505 ' HB ' ' CE1' ' A' ' 512' ' ' PHE . 41.2 t -60.84 -31.69 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.432 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.4 mmt -62.45 -44.5 96.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' THR . . . . . 0.524 ' HA ' ' CD ' ' A' ' 535' ' ' ARG . 7.6 t -65.51 -26.43 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.626 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . 0.402 ' N ' HG21 ' A' ' 532' ' ' THR . 0.1 OUTLIER -63.98 -40.17 95.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.394 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.88 -52.12 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.364 179.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.524 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 15.9 ptt180 -64.81 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.43 -35.38 74.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . 0.417 HD11 ' N ' ' A' ' 505' ' ' ARG . 0.5 OUTLIER -59.29 -54.13 38.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.136 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.62 -43.64 63.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.31 -52.77 63.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.941 0.401 . . . . 0.0 110.636 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -32.51 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.339 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' MET . . . . . 0.403 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 21.5 ttm -58.67 -35.29 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.329 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -70.24 -31.78 69.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.314 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -63.96 -34.4 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 4.1 t -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.444 ' O ' HD11 ' A' ' 548' ' ' LEU . 44.7 mt -58.17 -36.43 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 1.2 m -68.2 -37.75 81.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.97 0.414 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.69 -37.64 87.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.444 HD11 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -87.46 -31.34 20.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.992 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 545' ' ' LEU . 2.9 m-85 -56.64 -22.52 34.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.179 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -47.47 -29.21 2.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.7 t -104.31 78.64 0.35 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.008 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.59 -30.82 9.28 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.693 2.262 . . . . 0.0 112.393 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.67 -54.17 17.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 89.7 t -74.94 -45.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.769 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -49.83 -31.47 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.26 -52.09 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.33 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.89 -46.48 90.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.958 0.408 . . . . 0.0 110.455 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.14 -38.33 81.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.428 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -59.09 -34.89 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.67 -55.92 19.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.26 -31.88 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.492 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.455 ' O ' ' HG ' ' A' ' 565' ' ' LEU . 4.4 t -65.77 -59.8 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.6 t0 -49.86 -34.84 21.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.369 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.515 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 2.0 mt-10 -71.2 -26.21 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.286 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 562' ' ' VAL . 0.5 OUTLIER -76.59 -32.59 58.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.799 -179.36 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -86.56 -16.57 36.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.515 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.8 mt-30 -54.64 -48.22 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.62 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.49 -29.37 61.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.946 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.962 0.411 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.683 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.2 mmm -66.58 -47.22 73.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.603 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.19 -30.73 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.603 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.28 -51.62 42.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -45.54 90.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -58.77 -29.28 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.81 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -84.6 -44.84 13.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -51.1 67.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.108 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.18 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.161 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -64.16 -43.6 94.66 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.152 0.501 . . . . 0.0 109.805 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.463 HD21 ' CE1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -65.95 -53.41 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.692 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -26.71 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.535 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -70.59 -50.14 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.443 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.442 ' CD2' HD22 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -68.42 -30.1 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.584 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 18.1 mm -64.54 -33.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 81.8 m -63.33 -46.2 87.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.831 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.95 -27.63 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 10.9 mt -60.29 -44.7 95.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.278 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 482' ' ' ALA . 7.7 mp0 -89.8 -11.86 40.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.477 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -28.53 -54.0 0.11 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 61.7 t 45.54 97.27 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.808 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.61 131.78 21.36 Favored 'Cis proline' 0 C--N 1.347 0.495 0 C-N-CA 123.714 -1.369 . . . . 0.0 111.989 -0.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 3.4 Cg_exo -79.45 159.34 25.77 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.474 2.116 . . . . 0.0 112.043 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.4 ' O ' HG11 ' A' ' 490' ' ' VAL . 1.7 mtp85 -116.54 76.65 7.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -48.11 -25.0 6.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.578 2.186 . . . . 0.0 112.603 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -26.26 23.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.219 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -87.28 -35.62 18.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.4 HG11 ' O ' ' A' ' 486' ' ' ARG . 3.3 m -64.23 -39.36 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.511 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.47 ' CD2' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.72 -30.23 60.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.112 179.396 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -68.55 -47.39 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.315 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.41 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.83 -39.99 72.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.721 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 476' ' ' TYR . 3.1 mm? -56.27 -47.38 78.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.442 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.402 ' CD ' HD13 ' A' ' 565' ' ' LEU . 11.0 mtpt -49.04 -46.17 43.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.737 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -52.7 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.436 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.463 ' CE1' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -60.54 -32.62 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.167 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . 0.446 HG22 ' CD2' ' A' ' 497' ' ' TYR . 89.1 t -73.59 -52.07 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.65 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -23.77 55.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.91 -40.39 63.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 0.9 OUTLIER -62.53 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.507 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -55.86 -42.64 76.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.48 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -60.59 -43.26 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.496 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.69 -41.58 83.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.309 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.405 ' HB2' HG23 ' A' ' 537' ' ' ILE . 7.6 ttt180 -58.68 -44.16 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.476 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -60.85 -27.74 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -33.86 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 11.2 m -59.09 -53.17 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 1.1 mm? -55.23 -50.8 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 514' ' ' HIS . 8.4 mtpp -60.48 -45.15 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -34.55 57.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.3 OUTLIER -70.91 -56.61 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.068 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.29 -36.62 84.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.782 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 510' ' ' LYS . 0.9 OUTLIER -63.88 -58.04 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.722 0.296 . . . . 0.0 110.795 -179.686 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.18 -23.59 33.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -77.97 -23.63 48.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 19.8 mtm -89.5 -16.0 31.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.199 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 22.8 m -115.48 -46.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.32 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.51 72.74 67.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.97 -31.99 84.35 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.624 2.216 . . . . 0.0 112.177 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.965 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.77 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.53 -28.96 63.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.843 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.0 -32.46 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 32.1 pt -81.71 -10.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.712 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.536 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.14 -51.49 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.621 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -36.56 76.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.28 -51.86 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.466 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 48.7 t -63.28 -31.76 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.45 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 1.2 mmt -68.37 -49.55 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 533' ' ' HIS . 1.0 OUTLIER -57.15 -32.58 66.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 532' ' ' THR . 10.8 t60 -64.69 -38.95 92.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.489 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.01 -48.17 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.59 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 531' ' ' MET . 27.7 mtp180 -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.418 HG13 ' CG ' ' A' ' 540' ' ' ARG . 35.5 t -59.92 -35.93 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.471 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . 0.405 HG23 ' HB2' ' A' ' 505' ' ' ARG . 0.5 OUTLIER -59.16 -55.34 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.316 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -39.05 57.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.255 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.16 -54.2 47.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.418 ' CG ' HG13 ' A' ' 536' ' ' VAL . 0.9 OUTLIER -56.45 -36.15 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 36.3 ttm -57.57 -34.22 68.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.482 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.55 -33.98 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 98.3 p -67.1 -42.97 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.744 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 67.1 mt -56.65 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.025 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.405 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 4.0 m -67.71 -34.23 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.09 0.472 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.72 -38.6 91.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.56 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.43 -32.59 19.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.034 179.667 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 3.6 m-85 -56.22 -22.23 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.318 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -47.74 -28.88 2.7 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.02 0.438 . . . . 0.0 110.265 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.2 t -105.32 77.9 0.39 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.099 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -47.66 -26.83 7.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.774 2.316 . . . . 0.0 112.49 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.14 -49.3 37.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.58 -43.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -51.52 -39.51 57.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.728 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.42 -42.86 64.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.421 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.11 -49.02 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.247 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.4 ' O ' ' HB ' ' A' ' 562' ' ' VAL . 2.2 pp -66.21 -35.53 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.398 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -62.29 -36.88 83.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.82 -53.43 57.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.684 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -74.54 -38.05 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 558' ' ' ILE . 7.8 t -64.54 -57.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.405 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -54.7 -28.05 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.39 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.489 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 28.2 mt-10 -77.73 -23.56 49.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.053 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 491' ' ' PHE . 0.4 OUTLIER -78.96 -35.42 43.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.578 -179.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.423 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.4 mp -86.93 -18.35 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.5 pt20 -58.96 -53.14 61.77 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.728 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.95 -26.05 21.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.566 179.782 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.092 0.473 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.85 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 8.9 mmm -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.764 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.05 -38.46 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.729 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.08 -39.15 93.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.699 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -50.32 70.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.675 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -57.76 -28.97 64.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.708 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -87.04 -39.07 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.755 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -48.41 71.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.259 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.24 -40.54 94.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -63.93 -38.42 91.01 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.457 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.7 OUTLIER -71.73 -53.08 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.418 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -61.32 -23.85 66.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.707 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -73.88 -48.37 31.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.339 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.3 OUTLIER -69.79 -28.91 66.13 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.517 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 16.5 mm -65.04 -33.89 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.188 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 96.8 m -58.12 -46.82 84.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.987 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.81 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.194 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 10.5 mt -59.78 -42.04 92.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.302 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -83.12 -13.48 55.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -34.91 -54.53 0.58 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 44.1 t 45.54 96.89 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.858 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -70.94 134.9 33.66 Favored 'Cis proline' 0 C--N 1.347 0.484 0 C-N-CA 123.7 -1.375 . . . . 0.0 112.07 -0.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.51 154.67 16.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.532 2.155 . . . . 0.0 112.397 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.442 ' O ' HG12 ' A' ' 490' ' ' VAL . 1.9 mmt85 -104.26 78.67 0.35 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.19 -22.87 5.92 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.796 2.33 . . . . 0.0 112.652 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -26.38 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 111.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.402 ' O ' ' CE ' ' A' ' 493' ' ' MET . 6.8 t-160 -86.5 -36.44 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 486' ' ' ARG . 4.5 m -64.28 -41.88 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.368 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.41 ' CD1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.29 -26.74 19.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.178 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.0 -43.14 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.27 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.469 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -64.34 -28.32 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 476' ' ' TYR . 2.7 mm? -71.71 -45.42 61.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -55.83 -31.28 62.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -84.92 -50.29 7.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.746 0.308 . . . . 0.0 110.273 179.188 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.457 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -52.03 -44.62 64.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.163 0.506 . . . . 0.0 109.761 179.108 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . 0.426 HG23 ' CD2' ' A' ' 497' ' ' TYR . 50.0 t -62.67 -42.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.378 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -27.99 57.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.12 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.571 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.98 -41.02 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.196 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -57.83 -40.14 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.444 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -65.65 -38.46 89.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.535 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -63.56 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.44 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.71 -32.0 73.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.413 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -36.66 83.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.533 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 96.1 m -58.33 -52.84 63.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.152 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -57.08 -52.1 66.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 110.204 179.083 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -58.34 -41.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.723 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.04 -39.16 63.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.478 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -60.0 -51.03 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.764 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -75.72 -31.69 59.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.721 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -60.52 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.703 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.38 -23.67 31.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -77.3 -23.41 51.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 33.2 mtm -88.4 -17.78 29.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.348 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 16.1 m -115.19 -44.46 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 111.351 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.76 73.38 75.33 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.85 -30.11 83.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.623 2.215 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -64.19 -57.47 9.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.021 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -27.74 56.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.768 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.41 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -52.53 -41.23 63.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.48 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -75.38 -32.02 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 523' ' ' ALA . 33.2 pt -81.7 -9.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.478 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.38 -49.21 3.82 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.687 0.279 . . . . 0.0 111.564 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 2.6 m -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.84 -45.03 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.463 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.44 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 35.5 t -62.07 -32.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.6 mmt -68.31 -52.21 36.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 13.1 t -59.55 -30.7 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.852 0.358 . . . . 0.0 110.298 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -59.01 -43.56 91.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.234 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.76 -42.92 97.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.15 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -42.46 98.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.012 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.417 HG12 ' CG ' ' A' ' 540' ' ' ARG . 22.9 t -55.85 -37.58 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -54.66 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -42.08 54.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.58 -49.9 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.417 ' CG ' HG12 ' A' ' 536' ' ' VAL . 7.3 mmp_? -57.28 -38.58 74.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.526 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 18.3 ttm -55.51 -35.11 65.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.313 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -72.49 -30.59 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.607 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.3 -36.38 76.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 2.9 t -64.63 -41.19 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.578 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 52.9 mt -62.69 -34.98 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.2 m -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.5 -37.9 87.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.666 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.43 ' HB3' ' OH ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -87.57 -31.23 19.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.036 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 545' ' ' LEU . 1.4 m-85 -56.43 -22.48 32.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.204 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -47.58 -29.19 2.7 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.37 77.66 0.38 Allowed Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.965 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.89 -30.62 7.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 557' ' ' GLU . . . -68.29 -54.17 19.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 90.5 t -75.22 -45.55 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.414 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -50.06 -30.94 11.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.571 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -77.1 -52.26 9.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.593 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 1.6 mm-40 -61.43 -41.92 97.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.109 0.48 . . . . 0.0 110.609 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.406 ' O ' ' HB ' ' A' ' 562' ' ' VAL . 2.4 pp -70.77 -41.41 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.837 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.44 -37.13 86.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.715 0.293 . . . . 0.0 111.217 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -51.92 67.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . 0.404 ' HG3' ' CG ' ' A' ' 491' ' ' PHE . 4.7 pt-20 -79.35 -35.56 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.556 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.417 ' HA ' HD21 ' A' ' 565' ' ' LEU . 8.3 t -60.44 -52.87 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -39.74 91.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.515 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.4 mm-40 -68.99 -25.7 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.214 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 562' ' ' VAL . 0.0 OUTLIER -75.84 -35.41 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.529 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.02 -16.04 45.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.515 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 23.4 mt-30 -56.78 -48.94 76.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.703 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -60.28 -30.03 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.962 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.968 0.413 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.86 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 41.4 mtp -67.63 -44.01 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.86 -26.61 67.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -76.41 -43.48 40.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.95 -54.74 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -57.81 -31.38 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.707 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . 0.413 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 9.8 ttp-105 -80.91 -40.86 23.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -62.66 1.68 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.18 0.514 . . . . 0.0 109.991 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.33 -34.16 56.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.773 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.31 95.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.962 0.41 . . . . 0.0 110.554 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 497' ' ' TYR . 1.1 tm? -73.05 -43.07 62.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.106 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.92 -27.18 67.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.594 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -70.55 -46.68 63.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.474 ' CG ' HD23 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -65.24 -38.63 90.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.05 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 17.4 mm -56.15 -35.41 41.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.425 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.44 85.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.0 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.347 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 6.3 mt -62.75 -42.58 99.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.156 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -83.18 -13.26 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.445 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -37.2 -56.05 0.95 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.775 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 43.5 t 44.42 96.93 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.61 134.67 25.94 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 123.587 -1.422 . . . . 0.0 112.016 -0.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 87.4 Cg_endo -84.19 164.17 13.17 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.499 2.133 . . . . 0.0 112.422 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -112.76 78.35 2.81 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.064 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.82 -27.03 5.19 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.522 2.148 . . . . 0.0 112.513 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -25.72 26.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.381 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 13.5 t-160 -87.65 -36.91 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 3.6 m -65.45 -34.05 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.509 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.446 ' CD1' HD21 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.96 -26.4 67.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -68.15 -56.51 8.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -53.64 -30.54 43.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.923 0.392 . . . . 0.0 110.484 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.474 HD23 ' CG ' ' A' ' 476' ' ' TYR . 3.7 mm? -62.15 -53.7 51.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -55.05 -27.14 42.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.967 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.426 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 3.1 mmmt -74.39 -53.05 10.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.877 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.46 ' CD2' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -64.49 -33.6 76.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.639 179.373 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.03 -46.89 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.117 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -27.25 62.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.31 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.534 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.41 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 1.2 mt-10 -62.44 -49.12 76.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.163 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -56.6 -40.79 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.14 -31.96 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.53 -42.03 59.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.537 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -59.27 -53.71 55.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -27.31 69.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.385 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -40.95 74.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.375 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.404 HG21 ' CG1' ' A' ' 530' ' ' VAL . 56.9 m -60.91 -31.7 71.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -39.33 82.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.113 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.12 -41.27 71.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.459 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -51.2 -54.56 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.536 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.6 -40.05 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.586 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.49 -54.71 35.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.715 0.293 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 519' ' ' ASP . 8.9 p -60.74 -26.77 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.16 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 3.4 ttp180 -70.81 -26.44 63.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 111.025 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 44.4 mtm -89.78 -15.68 31.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.749 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.02 -47.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 515' ' ' VAL . 5.0 t0 -127.28 74.48 77.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.674 0.273 . . . . 0.0 111.55 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.02 -31.11 66.35 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -63.73 -57.72 9.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.017 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . 0.407 ' HD2' ' CG2' ' A' ' 515' ' ' VAL . 0.0 OUTLIER -73.83 -28.25 61.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -51.36 -40.72 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.417 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -71.35 -30.18 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.525 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -41.82 56.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.414 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' A' ' 523' ' ' ALA . 42.1 pt -71.83 -18.8 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.711 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.459 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 12.4 mtp85 -41.61 -51.54 3.96 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.664 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 39.6 m -60.38 -33.94 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.401 ' HA ' HG21 ' A' ' 532' ' ' THR . 0.5 OUTLIER -76.62 -40.73 48.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.238 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.404 ' CG1' HG21 ' A' ' 508' ' ' THR . 46.9 t -63.05 -33.17 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.082 0.468 . . . . 0.0 110.321 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.415 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 3.7 mmt -67.92 -54.83 15.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.488 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' THR . . . . . 0.401 HG21 ' HA ' ' A' ' 529' ' ' GLN . 14.8 t -57.85 -25.57 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.174 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -48.63 80.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.99 -44.67 96.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.338 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -61.79 -42.28 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.189 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.443 HG11 ' HG3' ' A' ' 540' ' ' ARG . 41.3 t -55.69 -37.3 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -55.28 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -37.38 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.34 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.3 -59.16 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.443 ' HG3' HG11 ' A' ' 536' ' ' VAL . 52.3 mtt180 -54.05 -35.3 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 32.1 ttm -57.41 -34.97 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -71.27 -30.61 66.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.548 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -67.37 -42.01 84.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' SER . . . . . 0.431 ' HB2' HD23 ' A' ' 473' ' ' LEU . 5.0 p -61.79 -39.54 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 57.9 mt -63.33 -31.54 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 13.1 m -67.36 -35.24 78.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.64 -39.36 94.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.607 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -85.77 -31.74 22.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.818 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 545' ' ' LEU . 3.3 m-85 -54.95 -24.0 21.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -48.01 -28.55 2.85 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-O 121.114 0.483 . . . . 0.0 110.057 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.4 t -105.6 76.8 0.36 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.945 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -46.86 -27.73 6.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.84 -48.49 58.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.117 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 79.0 t -82.98 -41.78 17.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.058 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -52.48 -36.04 54.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.03 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.48 -46.04 42.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.549 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -42.7 96.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -72.65 -39.01 60.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.815 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -62.18 -41.43 98.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.723 0.297 . . . . 0.0 111.186 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.99 -47.91 84.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.89 -33.79 45.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.695 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.539 ' HA ' HD21 ' A' ' 565' ' ' LEU . 2.5 t -63.28 -55.94 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.817 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 1.9 t70 -59.31 -36.01 74.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.51 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.521 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.5 mm-40 -69.4 -24.92 63.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -75.47 -32.08 60.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.881 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.1 mt -86.54 -19.22 29.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.521 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 5.9 mt-30 -59.4 -43.14 93.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -29.27 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.086 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.932 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.982 0.42 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.55 -31.35 72.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 28.6 mtp -65.78 -47.89 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.05 -39.71 79.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -64.61 -51.43 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.633 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -47.33 -45.7 24.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.981 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -32.28 71.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -81.02 -41.95 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.983 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -60.66 -60.83 3.18 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 109.858 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.15 -37.6 61.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.559 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.83 77.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.134 0.492 . . . . 0.0 109.749 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.444 HD23 ' CD1' ' A' ' 497' ' ' TYR . 0.3 OUTLIER -65.13 -50.2 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -26.67 68.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.315 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -70.32 -49.71 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.261 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.459 ' OH ' ' HB3' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -70.32 -28.13 64.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.922 0.392 . . . . 0.0 110.232 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 19.0 mm -67.93 -33.08 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.207 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -61.7 -47.24 86.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.15 70.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.244 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 9.5 mt -59.11 -47.21 86.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.312 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 482' ' ' ALA . 7.3 mp0 -88.03 -11.26 47.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -27.9 -51.74 0.07 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 72.5 t 46.69 97.43 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.18 134.78 37.19 Favored 'Cis proline' 0 C--N 1.349 0.581 0 C-N-CA 123.393 -1.503 . . . . 0.0 112.155 -0.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.38 139.81 10.53 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.401 2.067 . . . . 0.0 112.311 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 489' ' ' HIS . 7.5 mtt180 -101.47 83.71 0.47 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -47.87 -25.68 6.38 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.878 2.386 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -27.81 24.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.332 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 486' ' ' ARG . 0.0 OUTLIER -87.65 -36.39 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.58 -36.03 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.205 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.482 ' CD1' HD21 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -58.22 -32.26 68.15 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 121.004 0.431 . . . . 0.0 109.983 179.176 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -66.49 -45.44 79.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.421 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.424 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -56.16 -35.88 67.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.476 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.419 HD11 ' CD2' ' A' ' 476' ' ' TYR . 3.4 mm? -58.69 -49.95 75.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.065 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.424 ' HG2' ' CD1' ' A' ' 565' ' ' LEU . 17.3 mtpt -47.07 -43.39 20.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -54.86 33.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.191 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.444 ' CD1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -59.65 -34.84 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.012 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . 0.403 HG23 ' CD2' ' A' ' 497' ' ' TYR . 77.2 t -69.77 -51.27 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.405 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -26.29 28.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.87 69.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.55 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.48 -44.1 97.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.133 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.4 -37.76 65.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.484 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -66.92 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.307 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.8 -41.73 97.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.421 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.43 -40.54 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.259 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.96 -31.31 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.301 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -70.36 -31.37 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.33 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 3.7 m -60.49 -48.98 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.2 -43.68 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.64 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -60.57 -38.7 85.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.629 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -36.24 77.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.492 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -57.62 -54.57 45.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.504 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.209 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.651 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 519' ' ' ASP . 12.7 p -60.57 -24.34 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.78 -23.31 58.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.5 mtp -87.34 -22.29 25.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.457 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.24 -41.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.51 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 515' ' ' VAL . 2.2 t0 -128.9 73.69 81.37 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.05 -31.77 83.76 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.69 2.26 . . . . 0.0 112.392 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -63.62 -56.69 13.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -27.4 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -53.14 -40.06 63.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.33 61.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.686 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -74.4 -30.29 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.678 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 523' ' ' ALA . 23.1 pt -82.41 -7.58 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.492 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -42.71 -45.45 4.74 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.849 0.357 . . . . 0.0 111.363 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 1.9 m -71.26 -29.71 65.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.6 OUTLIER -73.83 -44.87 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.17 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.439 ' HB ' ' CE2' ' A' ' 512' ' ' PHE . 10.0 t -58.16 -32.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.458 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.0 mmt -66.23 -56.21 12.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.416 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 12.9 t -55.1 -28.95 56.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.492 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 530' ' ' VAL . 4.8 m-70 -58.75 -47.78 83.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.184 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -62.58 -43.9 97.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 109.77 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -59.08 -41.86 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 540' ' ' ARG . 22.9 t -53.45 -40.97 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -54.08 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.555 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -73.97 -41.89 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -55.76 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.41 . . . . 0.0 110.714 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.461 ' HG3' HG13 ' A' ' 536' ' ' VAL . 37.0 mtt180 -56.45 -30.37 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 31.2 ttm -58.51 -37.3 75.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.162 0.506 . . . . 0.0 109.688 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.55 -36.88 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.967 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.85 80.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 8.3 p -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.204 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 548' ' ' LEU . 59.1 mt -56.57 -32.59 65.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.555 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.8 OUTLIER -68.14 -38.72 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.466 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 24.6 mt -62.1 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.483 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.459 ' HB3' ' OH ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -81.61 -31.61 32.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.589 179.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.446 ' HA ' ' CB ' ' A' ' 555' ' ' ALA . 2.0 m-85 -54.66 -23.82 18.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.124 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.38 -28.92 2.28 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.053 0.454 . . . . 0.0 110.099 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.46 77.8 0.33 Allowed Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.757 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.86 -31.94 8.66 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.829 2.352 . . . . 0.0 112.637 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.08 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.324 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 557' ' ' GLU . 86.5 t -77.01 -42.55 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.088 0.47 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -50.77 -33.63 24.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.698 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -78.61 -51.71 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.509 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 554' ' ' VAL . 16.5 pt-20 -61.39 -42.5 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.074 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.4 pp -72.62 -35.76 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.709 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.47 -41.88 97.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -50.41 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.669 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.8 -40.22 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.443 ' HA ' HD21 ' A' ' 565' ' ' LEU . 5.7 t -63.55 -53.42 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.722 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.73 -28.06 60.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.597 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.541 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 52.2 mm-40 -76.84 -23.99 52.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.482 HD21 ' CD1' ' A' ' 491' ' ' PHE . 0.4 OUTLIER -77.74 -38.49 46.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.592 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.479 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.5 mt -86.93 -23.17 25.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.541 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.0 OUTLIER -64.73 -58.34 6.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -52.64 -38.28 60.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.938 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 121.081 0.467 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.678 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.82 -42.49 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 30.7 mt -56.54 -38.89 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.77 -55.57 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.637 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -43.64 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.963 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -59.08 -32.56 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -81.28 -41.58 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -60.96 -59.9 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.217 0.532 . . . . 0.0 109.894 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.92 -38.82 70.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.72 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.88 -40.98 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.189 0.519 . . . . 0.0 109.943 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 476' ' ' TYR . 0.2 OUTLIER -68.36 -53.47 23.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.874 178.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.53 -24.63 65.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.464 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . 0.411 ' HB3' ' HG2' ' A' ' 493' ' ' MET . 7.2 m-20 -70.77 -49.8 42.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 476' ' ' TYR . 0.6 OUTLIER -70.61 -29.93 66.45 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.051 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.526 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 20.7 mm -60.23 -33.89 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.875 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -66.76 -46.97 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.683 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.53 -26.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.087 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 13.6 mt -61.49 -49.14 77.97 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.216 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 482' ' ' ALA . 5.6 mp0 -84.0 -11.64 56.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -30.84 -50.66 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 61.8 t 46.04 95.23 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.662 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.09 133.17 30.1 Favored 'Cis proline' 0 C--N 1.349 0.564 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.202 -0.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.46 158.41 44.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.318 2.012 . . . . 0.0 112.342 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -113.01 80.68 4.16 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.032 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.2 -24.1 5.4 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.598 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.22 -26.49 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.098 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.422 ' O ' ' CE ' ' A' ' 493' ' ' MET . 16.9 t-160 -87.22 -36.13 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 3.5 m -65.4 -37.01 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.521 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -61.98 -26.71 68.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.281 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -68.76 -56.22 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.594 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.422 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -55.18 -27.7 47.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.618 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' A' ' 476' ' ' TYR . 4.0 mm? -64.76 -51.75 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.411 ' HB3' HD22 ' A' ' 565' ' ' LEU . 6.5 ptmt -56.71 -27.41 59.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.407 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.1 OUTLIER -74.25 -49.74 21.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.967 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 498' ' ' VAL . 0.0 OUTLIER -60.35 -42.62 96.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 179.632 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . 0.446 ' N ' ' CD1' ' A' ' 497' ' ' TYR . 60.0 t -60.11 -43.57 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.335 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.4 62.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -76.95 -51.28 11.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 502' ' ' GLN . 0.2 OUTLIER -57.89 -29.08 64.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.854 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.42 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 17.6 mt-30 -74.35 -37.55 63.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -64.78 -33.21 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.437 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -50.45 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.503 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -45.72 88.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.334 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -64.51 -28.98 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.5 -34.61 65.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.305 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 88.6 m -60.58 -44.71 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.37 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -51.7 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -51.92 -39.22 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.887 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 516' ' ' ARG . 0.3 OUTLIER -54.12 -48.07 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.146 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.39 -36.54 66.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.49 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -59.7 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.562 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 519' ' ' ASP . 8.3 p -61.19 -24.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 5.8 tpt180 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.687 0.279 . . . . 0.0 111.081 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 56.2 mtm -82.56 -22.85 34.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.173 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -43.96 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.643 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 515' ' ' VAL . 0.3 OUTLIER -122.27 79.69 44.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.397 -179.447 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.47 -55.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.438 2.092 . . . . 0.0 112.002 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -57.59 -48.71 78.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.586 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . 0.417 ' CE ' ' CG2' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -58.83 -40.32 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.316 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.445 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -52.76 -33.83 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.78 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.38 -33.16 61.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.764 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -76.49 -31.44 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.445 HG12 ' HA ' ' A' ' 523' ' ' ALA . 11.3 pt -92.87 -15.82 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.223 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 19.8 m -50.65 -28.09 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.026 0.441 . . . . 0.0 110.247 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -82.97 -37.54 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.661 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.04 -32.61 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.08 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.439 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.7 mmt -65.41 -48.98 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.517 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' THR . . . . . 0.525 ' HA ' ' CD ' ' A' ' 535' ' ' ARG . 13.2 t -63.33 -25.27 68.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.306 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.197 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -67.21 -53.18 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.525 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 16.5 ptt180 -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 540' ' ' ARG . 2.4 t -65.51 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -49.09 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.352 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.19 -33.06 50.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.83 -54.77 25.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.103 0.477 . . . . 0.0 110.404 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.405 ' HG3' HG13 ' A' ' 536' ' ' VAL . 0.6 OUTLIER -58.01 -32.88 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.204 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 4.6 ttm -58.1 -36.25 72.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.83 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.42 -37.09 85.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.806 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -40.95 88.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.074 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 6.1 m -64.14 -43.42 95.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.589 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.89 -42.79 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -36.57 67.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 28.0 mt -58.75 -53.92 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.993 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -76.63 -28.96 56.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.431 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.426 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 1.6 m-85 -60.28 -19.77 56.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.407 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -47.67 -29.15 2.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.141 0.496 . . . . 0.0 110.155 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 76.76 0.34 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.736 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.93 -30.4 7.01 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.0 112.523 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.16 -54.06 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.68 -45.43 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.402 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -50.16 -33.52 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.67 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.69 -51.51 11.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.366 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.03 -42.59 94.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.729 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.72 -40.26 69.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.76 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -62.12 -44.36 96.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -48.21 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.064 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.17 -39.17 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.474 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.504 ' HA ' HD21 ' A' ' 565' ' ' LEU . 2.8 t -60.03 -50.68 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.4 t70 -58.58 -40.52 83.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.476 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 5.0 mm-40 -66.9 -24.55 66.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.442 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.37 -31.49 58.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 111.57 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -84.17 -18.58 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 11.1 mm-40 -58.73 -52.24 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.645 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -91.23 -24.56 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.506 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 121.016 0.436 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.853 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -37.83 88.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.689 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.415 HD12 ' CD2' ' A' ' 507' ' ' HIS . 1.2 mt -63.28 -43.59 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -62.58 -38.93 92.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.675 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -58.77 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -82.49 -40.47 21.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -62.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.5 pp -57.32 -36.97 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.537 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.38 84.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 110.046 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.446 HD22 ' CE2' ' A' ' 476' ' ' TYR . 1.2 tm? -72.9 -47.73 43.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.91 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.82 -28.09 69.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.363 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -70.15 -48.04 59.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.471 ' CD1' HD22 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -64.37 -37.44 87.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.166 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 17.4 mm -57.64 -34.76 48.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.278 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 75.2 m -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.902 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.139 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 7.1 mt -59.18 -41.99 89.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.234 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 482' ' ' ALA . 60.9 mm-40 -80.47 -13.27 59.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -31.89 -51.58 0.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 40.8 t 42.97 96.53 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.007 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.25 134.25 35.04 Favored 'Cis proline' 0 C--N 1.349 0.578 0 C-N-CA 123.425 -1.489 . . . . 0.0 112.231 -0.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.71 158.11 39.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.343 2.029 . . . . 0.0 112.425 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.441 ' O ' HG11 ' A' ' 490' ' ' VAL . 4.9 mmt85 -111.12 80.07 2.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . 0.419 ' HA ' HG23 ' A' ' 558' ' ' ILE . 79.8 Cg_exo -44.32 -26.97 1.8 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.694 2.263 . . . . 0.0 112.93 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -25.98 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.518 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.401 ' CD2' ' HE2' ' A' ' 493' ' ' MET . 21.5 t-160 -86.82 -38.06 17.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.441 HG11 ' O ' ' A' ' 486' ' ' ARG . 5.6 m -63.94 -35.82 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.44 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.454 ' CD2' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -54.22 -35.01 61.96 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.968 0.414 . . . . 0.0 110.0 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.448 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 36.0 t30 -67.19 -45.52 76.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.983 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.443 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -60.25 -47.63 85.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.089 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 476' ' ' TYR . 2.6 mm? -59.29 -48.81 80.24 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.407 ' CG ' HD12 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.06 -35.45 59.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.621 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 497' ' ' TYR . 0.0 OUTLIER -72.27 -47.11 52.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.11 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.468 ' N ' ' HG2' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -61.58 -42.34 98.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.693 179.235 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 85.2 t -59.09 -49.45 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.621 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.0 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.23 -49.22 24.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.775 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 502' ' ' GLN . 0.8 OUTLIER -58.57 -28.95 66.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 47.0 mt-30 -69.45 -41.22 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.272 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -60.43 -27.78 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.598 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.08 -44.72 45.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.403 ' N ' HD13 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -57.63 -51.06 71.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.541 179.699 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.77 -27.49 68.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.465 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . 0.415 ' CD2' HD12 ' A' ' 465' ' ' LEU . 0.3 OUTLIER -70.04 -32.77 71.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 179.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 51.4 m -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.527 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.9 mp -56.38 -37.2 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -45.43 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -64.92 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.665 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -54.27 -49.89 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.77 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -81.69 -37.2 27.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.985 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -64.23 -56.66 13.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.729 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 4.8 p -62.12 -30.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -24.16 64.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.5 OUTLIER -89.03 -48.51 7.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.067 0.461 . . . . 0.0 110.661 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' A' ' 517' ' ' MET . 22.3 m -76.2 -46.85 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.524 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -129.62 76.52 78.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.205 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.12 -33.29 91.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.611 2.207 . . . . 0.0 112.332 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -62.91 -55.89 22.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -30.36 65.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.447 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -53.57 -37.26 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.62 -29.83 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -80.57 -28.85 37.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.238 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.447 HG12 ' HA ' ' A' ' 523' ' ' ALA . 28.4 pt -87.87 -19.45 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.706 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.665 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.0 -51.87 3.21 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.784 0.326 . . . . 0.0 111.721 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -35.64 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.632 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.89 -41.8 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.015 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 512' ' ' PHE . 29.1 t -61.59 -32.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.17 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.41 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 1.3 mmt -62.34 -54.55 38.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 13.6 t -55.96 -26.27 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.395 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.92 -49.1 79.0 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.474 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -63.02 -40.08 96.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -62.08 -45.65 92.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.222 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.412 HG13 ' CG ' ' A' ' 540' ' ' ARG . 28.8 t -55.03 -34.3 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.651 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -59.59 -54.73 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 179.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -37.56 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.66 -54.58 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.412 ' CG ' HG13 ' A' ' 536' ' ' VAL . 3.3 mmm180 -54.62 -39.44 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.407 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 4.2 ttm -54.67 -35.05 63.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.211 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.55 -34.08 76.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.41 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -66.96 -44.81 79.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.519 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 1.4 m -59.92 -35.84 75.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.706 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.432 ' O ' HD11 ' A' ' 548' ' ' LEU . 44.8 mt -60.8 -53.93 51.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 21.5 p -49.85 -35.53 23.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 24.5 mt -61.99 -41.43 98.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.802 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -84.94 -30.99 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.429 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 2.6 m-85 -57.08 -22.28 38.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.242 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -47.66 -29.27 2.87 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.223 0.535 . . . . 0.0 110.027 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.37 77.02 0.35 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.79 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.47 -31.02 6.36 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.867 2.378 . . . . 0.0 112.469 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.88 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.016 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 93.6 t -74.45 -43.58 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.404 ' CB ' HD21 ' A' ' 548' ' ' LEU . . . -52.0 -31.55 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.87 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.12 -49.62 12.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 111.512 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.83 -49.65 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.151 0.501 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.424 ' O ' ' HB ' ' A' ' 562' ' ' VAL . 2.4 pp -63.36 -38.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.629 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -62.72 -38.08 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 111.203 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.22 -50.46 73.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.996 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.88 -38.08 28.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.713 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.425 ' HA ' HD22 ' A' ' 565' ' ' LEU . 8.2 t -62.95 -55.2 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.746 0.308 . . . . 0.0 110.754 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -59.06 -36.43 75.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.203 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.97 -24.86 64.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.105 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -73.6 -36.62 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.13 -179.126 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.468 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.8 mp -86.73 -16.22 37.07 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.533 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 13.4 mt-30 -54.93 -47.66 74.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -45.63 89.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.899 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.052 0.453 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.83 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -39.62 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.829 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.16 -37.63 88.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -63.28 -37.64 88.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -43.81 98.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -40.76 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.8 ttp-105 -79.06 -36.33 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -46.74 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.532 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 472' ' ' ALA . 0.8 OUTLIER -61.9 -36.91 82.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.38 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.402 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -64.7 -48.85 73.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.508 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.51 HD13 ' CZ ' ' A' ' 476' ' ' TYR . 0.1 OUTLIER -67.07 -41.42 86.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.935 179.327 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.19 -26.99 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.321 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -64.95 -51.41 61.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.967 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.51 ' CZ ' HD13 ' A' ' 473' ' ' LEU . 1.9 p90 -63.01 -33.97 76.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.967 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 22.6 mm -54.68 -34.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.109 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.3 m -68.06 -47.22 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.744 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -61.9 -27.17 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.07 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 14.4 mt -59.82 -49.13 78.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.226 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 482' ' ' ALA . 6.9 mp0 -80.37 -11.76 59.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.472 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -31.44 -50.69 0.18 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.985 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 47.8 t 44.29 96.22 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.819 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.95 134.3 34.41 Favored 'Cis proline' 0 C--N 1.348 0.549 0 C-N-CA 123.799 -1.334 . . . . 0.0 112.06 -0.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . 0.414 ' HA ' ' HB1' ' A' ' 482' ' ' ALA . 98.9 Cg_endo -79.4 158.01 25.76 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.392 2.061 . . . . 0.0 112.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.417 ' O ' HG12 ' A' ' 490' ' ' VAL . 4.4 mtt-85 -113.45 78.47 3.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.15 -24.82 6.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.507 2.138 . . . . 0.0 112.614 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 -26.67 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.332 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 7.3 t-160 -86.36 -37.54 18.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 486' ' ' ARG . 3.9 m -63.98 -36.0 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.32 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.501 ' CD2' HD21 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.26 -32.59 62.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.357 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.415 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 14.7 t30 -67.92 -54.85 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.351 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -56.18 -25.53 47.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 476' ' ' TYR . 3.9 mm? -67.18 -52.62 39.09 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -27.61 40.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.807 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -55.55 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.415 ' CE1' HG22 ' A' ' 498' ' ' VAL . 0.0 OUTLIER -53.85 -32.61 53.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.858 179.322 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . 0.446 ' O ' ' CG ' ' A' ' 501' ' ' GLU . 81.0 t -72.68 -46.3 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.075 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -25.96 40.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.83 -43.41 54.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.017 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 498' ' ' VAL . 1.2 pt-20 -62.49 -28.44 69.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.47 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.73 -55.17 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.299 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.53 -42.03 65.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 505' ' ' ARG . 9.4 ttp-105 -60.07 -55.29 35.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.395 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -28.2 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -33.59 72.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.088 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 82.9 m -58.21 -52.92 63.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.16 -41.31 96.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -64.26 -39.2 93.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.565 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -35.36 69.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 110.477 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' A' ' 527' ' ' ARG . 0.3 OUTLIER -61.1 -54.69 41.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.484 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -70.97 -28.97 64.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.194 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -66.71 -60.87 2.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 519' ' ' ASP . 12.9 p -60.98 -21.32 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.98 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -77.74 -23.52 49.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.727 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 27.1 mtp -85.28 -22.37 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.85 -42.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 111.495 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 515' ' ' VAL . 17.7 m-20 -130.24 74.35 80.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.112 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.16 -39.2 71.06 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.596 2.197 . . . . 0.0 112.257 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -26.34 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.455 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -56.47 -37.89 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.54 62.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -76.06 -26.3 56.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.455 HG12 ' HA ' ' A' ' 523' ' ' ALA . 36.4 pt -86.18 -6.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.723 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.37 -47.68 3.59 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.841 0.353 . . . . 0.0 111.55 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 73.3 m -62.84 -32.73 74.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.761 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.0 OUTLIER -74.58 -47.55 31.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.358 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.443 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 42.3 t -63.79 -32.38 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.341 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.0 mmt -69.26 -50.12 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.617 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 11.6 t -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.869 0.366 . . . . 0.0 110.286 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -58.01 -40.63 81.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.112 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.52 -45.27 87.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.122 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 11.0 mtp85 -64.17 -36.26 83.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.432 HG12 ' CG ' ' A' ' 540' ' ' ARG . 42.0 t -59.44 -37.91 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.219 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -53.3 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.272 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.46 -42.85 52.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.09 -52.19 66.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.432 ' CG ' HG12 ' A' ' 536' ' ' VAL . 4.2 mmt85 -56.85 -36.04 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.661 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 6.4 ttm -56.89 -35.5 69.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.005 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -33.04 73.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.295 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.81 -41.53 95.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.581 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.4 -38.16 83.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.532 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.421 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 42.8 mt -62.87 -33.03 74.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -41.43 81.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.03 -41.21 91.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.003 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.423 HD23 ' CB ' ' A' ' 555' ' ' ALA . 0.0 OUTLIER -85.64 -29.86 23.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.216 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 545' ' ' LEU . 1.3 m-85 -58.55 -20.98 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.394 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.54 -29.11 2.59 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.052 0.454 . . . . 0.0 110.156 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.3 t -104.56 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.043 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.37 -30.55 8.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.82 2.347 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -54.02 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.67 -45.51 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.423 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -49.62 -35.47 21.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.698 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.4 -52.02 13.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.409 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.023 0.44 . . . . 0.0 110.575 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.29 -36.42 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.726 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.48 -37.99 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -52.67 64.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.01 -36.3 64.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.366 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.449 ' HA ' HD21 ' A' ' 565' ' ' LEU . 3.4 t -64.67 -56.87 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.712 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.86 -27.68 60.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.442 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 44.8 mt-10 -79.87 -22.73 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.501 HD21 ' CD2' ' A' ' 491' ' ' PHE . 0.3 OUTLIER -82.07 -35.56 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.352 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.462 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.2 mp -87.02 -17.07 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.442 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pt20 -57.11 -52.15 66.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 110.74 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.31 -48.13 83.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.95 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.129 0.49 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.77 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -41.21 77.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.816 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.05 -37.66 80.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.781 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.93 -39.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.25 -51.39 61.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 5.2 mtp85 -59.82 -27.96 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.53 -46.71 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.93 86.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 468' ' ' ARG . 0.9 OUTLIER -67.44 -38.7 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.08 -37.09 80.83 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.019 0.437 . . . . 0.0 110.335 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.41 HD23 ' CE2' ' A' ' 497' ' ' TYR . 0.5 OUTLIER -75.64 -46.32 32.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.801 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.98 -25.0 66.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.695 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -72.3 -45.95 57.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.488 ' CG ' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.2 -39.52 86.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.622 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 19.2 mm -56.26 -34.88 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -56.69 -46.79 80.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.93 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.76 -31.16 72.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.227 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 5.9 mt -61.61 -44.21 97.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.227 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -87.37 -13.36 43.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.447 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.6 -56.48 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.965 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 59.1 t 49.74 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.493 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.73 134.54 29.85 Favored 'Cis proline' 0 C--N 1.349 0.554 0 C-N-CA 123.565 -1.431 . . . . 0.0 112.08 -0.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.62 151.59 10.19 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.551 2.168 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.4 ' CB ' ' HB2' ' A' ' 489' ' ' HIS . 2.8 mtt-85 -103.13 80.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -49.38 -23.79 7.77 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.677 2.252 . . . . 0.0 112.401 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -28.07 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -87.39 -35.05 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.12 -36.58 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.397 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.476 ' CD1' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.76 -23.98 66.85 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.231 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 50.8 t30 -67.71 -58.96 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.1 -30.22 15.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 110.508 179.687 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.488 HD21 ' CG ' ' A' ' 476' ' ' TYR . 3.6 mm? -61.35 -53.24 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -57.56 -27.48 62.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.892 -179.799 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.426 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -75.53 -50.64 15.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.849 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.419 ' CE2' ' OE2' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -61.12 -31.75 71.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.85 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.23 -51.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.639 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -28.45 36.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.74 78.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.419 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 0.8 OUTLIER -66.8 -48.29 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -52.21 -34.23 44.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -75.39 -26.4 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.445 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.95 -42.41 48.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -36.27 79.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.183 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -62.04 -32.43 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.594 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -66.69 -38.93 87.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 94.5 m -55.93 -46.9 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.7 OUTLIER -58.39 -54.08 51.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.478 179.486 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.42 -38.29 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -57.39 -35.55 70.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.447 ' CZ ' ' HB ' ' A' ' 530' ' ' VAL . 0.2 OUTLIER -63.1 -56.51 16.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.876 179.785 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.25 -28.63 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.413 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -65.48 -60.24 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 12.3 p -61.32 -21.75 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -79.54 -23.24 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 21.6 mtp -83.39 -24.78 31.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.776 0.322 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.6 m -110.05 -41.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.89 75.67 71.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.83 -49.9 14.2 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.599 2.2 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -52.74 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -36.96 83.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.56 -32.6 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.189 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.33 54.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.197 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -80.32 -24.5 39.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 529' ' ' GLN . 23.7 pt -91.63 -11.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.831 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.443 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.9 OUTLIER -41.14 -48.76 3.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.772 0.32 . . . . 0.0 111.567 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -62.35 -33.45 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.721 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -75.51 -48.75 21.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.227 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.447 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 46.1 t -60.35 -32.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.17 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.412 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 4.6 mmt -67.37 -54.88 16.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 13.4 t -58.27 -32.89 68.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.45 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -58.71 -37.92 77.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.079 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -70.74 -43.52 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.283 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 531' ' ' MET . 2.0 mtp-105 -65.14 -37.22 86.72 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.574 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.486 HG13 ' HG3' ' A' ' 540' ' ' ARG . 5.9 t -57.75 -35.01 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.135 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -51.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.411 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -40.39 56.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.45 -53.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.486 ' HG3' HG13 ' A' ' 536' ' ' VAL . 5.6 mtm180 -57.96 -33.26 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 31.8 ttm -58.9 -35.28 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.055 0.455 . . . . 0.0 110.031 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.406 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.47 -39.55 94.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 9.7 t -62.34 -42.49 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.5 mt -63.25 -28.37 69.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.622 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 13.8 t -72.21 -34.05 68.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 0.0 110.494 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.37 -40.21 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.511 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.71 -31.94 22.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.13 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.433 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -55.96 -22.28 25.61 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.063 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -48.47 -28.85 3.56 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.3 t -106.3 75.15 0.35 Allowed Pre-proline 0 N--CA 1.454 -0.229 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.703 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.34 -28.92 4.15 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.8 2.334 . . . . 0.0 112.329 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.43 -54.07 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.16 -42.77 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.414 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -52.47 -36.12 54.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.599 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.89 -50.73 22.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.76 -44.44 96.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.85 -36.9 66.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.576 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -62.1 -45.25 94.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 111.161 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -46.39 85.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -78.57 -35.87 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.477 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.513 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.4 t -61.35 -53.86 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.773 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.7 t0 -58.95 -38.99 80.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.416 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.04 -32.09 59.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.556 -179.334 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.401 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.2 mt -86.78 -15.51 39.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 5.7 mm100 -54.92 -50.99 67.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.405 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -58.26 -36.68 73.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.877 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.918 0.39 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.7 71.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -39.1 83.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -31.37 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.54 -37.93 74.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -51.64 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -28.74 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.792 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -83.71 -50.39 8.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -45.28 93.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.29 -35.27 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.404 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.02 -45.63 70.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.482 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.509 HD12 ' CZ ' ' A' ' 476' ' ' TYR . 0.1 OUTLIER -68.19 -42.2 80.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.115 179.344 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.35 -27.65 69.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -65.08 -51.91 58.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.509 ' CZ ' HD12 ' A' ' 473' ' ' LEU . 2.0 p90 -62.74 -34.58 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.052 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 23.1 mm -54.58 -34.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.223 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.1 m -68.35 -47.34 67.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.573 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.49 -18.53 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.336 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 14.4 mt -68.88 -47.28 66.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.323 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 482' ' ' ALA . 7.8 mp0 -80.46 -12.62 59.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 485' ' ' PRO . . . -33.88 -51.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.755 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 41.1 t 43.47 94.7 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.88 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -71.42 134.01 30.72 Favored 'Cis proline' 0 C--N 1.347 0.448 0 C-N-CA 123.647 -1.397 . . . . 0.0 111.978 -0.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . 0.406 ' HA ' ' HB1' ' A' ' 482' ' ' ALA . 82.4 Cg_endo -77.98 170.19 19.26 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.378 2.052 . . . . 0.0 112.233 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.419 ' O ' HG11 ' A' ' 490' ' ' VAL . 17.3 mtt85 -116.35 73.14 5.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -46.21 -25.82 3.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.579 2.186 . . . . 0.0 112.682 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -27.11 24.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.352 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 8.8 t-160 -86.34 -36.23 19.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.501 0.667 . . . . 0.0 109.265 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 486' ' ' ARG . 4.4 m -65.71 -36.33 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.531 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -27.44 66.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 495' ' ' LYS . 0.6 OUTLIER -70.18 -55.89 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.313 179.456 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -54.83 -29.36 54.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 179.415 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 476' ' ' TYR . 3.9 mm? -63.92 -53.61 47.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.803 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.435 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 1.1 ptmt -53.88 -26.65 25.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.793 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.435 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -76.2 -54.32 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.101 179.214 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.408 ' CE2' ' OE2' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -56.72 -37.91 71.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.02 -47.51 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.464 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -26.13 61.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.677 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.8 -39.37 69.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.408 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 2.0 mt-10 -67.15 -42.97 83.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.391 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -55.04 -42.5 72.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.489 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.45 -46.81 75.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -49.24 74.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.424 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -66.65 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.153 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -69.99 -31.9 69.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.162 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.409 ' CG2' ' CG1' ' A' ' 530' ' ' VAL . 67.1 m -61.04 -52.52 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -56.88 -33.7 67.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -63.11 -45.76 90.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -32.77 71.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.712 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -58.73 -53.91 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.609 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.82 -37.77 64.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.12 -55.25 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.761 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.79 -24.81 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -74.75 -23.29 58.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 32.9 mtm -86.45 -23.76 25.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.366 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.84 -41.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -130.9 73.98 80.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -40.35 78.32 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.613 2.208 . . . . 0.0 112.172 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.34 -54.62 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . 0.411 ' HA ' ' HG3' ' A' ' 525' ' ' GLN . 0.0 OUTLIER -68.49 -28.02 66.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.03 70.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.36 57.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . 0.411 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 7.2 mt-30 -77.02 -27.25 54.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 529' ' ' GLN . 28.2 pt -84.16 -12.31 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.615 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.544 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.08 -43.97 2.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.821 0.344 . . . . 0.0 111.617 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -76.54 -30.94 57.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.0 OUTLIER -72.91 -46.83 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.529 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.432 ' HB ' ' CE1' ' A' ' 512' ' ' PHE . 60.2 t -63.27 -32.86 57.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.453 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 2.1 mmt -61.82 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.743 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' THR . . . . . 0.507 ' HA ' ' CD ' ' A' ' 535' ' ' ARG . 6.0 t -66.67 -25.29 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.399 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -40.36 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.07 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -66.27 -54.83 20.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.253 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.507 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 8.5 ptm180 -62.35 -30.57 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.68 -35.7 75.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -49.87 81.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.232 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -78.05 -36.85 47.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.6 -56.27 17.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.925 0.393 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -57.06 -33.04 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.408 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 5.1 ttm -58.46 -35.44 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.009 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -69.47 -32.61 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.374 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -64.57 -43.1 94.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -37.21 86.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.659 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 548' ' ' LEU . 92.1 mt -58.32 -37.83 75.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.5 t -64.89 -37.36 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.353 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.3 mt -59.5 -45.1 92.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -82.24 -28.89 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.318 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.411 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -59.61 -20.54 56.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -47.05 -29.12 1.97 Allowed 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.155 0.502 . . . . 0.0 109.978 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.28 75.12 0.35 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.673 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.78 -28.84 7.22 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.792 2.328 . . . . 0.0 112.364 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.23 48.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.81 -44.47 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.403 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -50.95 -31.28 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.57 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.05 -53.24 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.062 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.46 -45.26 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -64.8 -36.73 78.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -61.75 -36.68 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.7 -54.15 46.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.39 -35.55 65.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 18.0 t -64.62 -55.24 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.78 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.03 -28.06 64.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.64 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.1 mt-10 -80.78 -24.63 38.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -36.65 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.76 -21.57 26.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pp0? -67.6 -59.58 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -27.98 29.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.93 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.126 0.489 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.792 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.9 -37.79 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.763 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.29 -34.52 78.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -70.0 -45.54 67.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -47.91 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -58.15 -30.73 66.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -83.89 -48.31 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.772 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -50.2 74.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.1 pp -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.648 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.418 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.23 -40.11 93.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.048 0.451 . . . . 0.0 110.173 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.494 HD21 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -71.18 -49.44 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.757 179.076 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.48 -26.0 68.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.422 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -70.4 -49.67 46.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.398 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.491 ' CG ' HD23 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -67.63 -32.49 73.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.212 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.555 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 14.9 mm -61.06 -33.44 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.974 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 80.2 m -60.42 -45.84 92.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.889 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.555 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 11.1 mt -58.57 -41.57 85.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.322 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -84.45 -13.46 52.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.359 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 485' ' ' PRO . . . -37.11 -55.72 0.94 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.91 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 46.8 t 48.06 96.31 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.642 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.75 134.73 32.58 Favored 'Cis proline' 0 C--N 1.348 0.504 0 C-N-CA 123.574 -1.427 . . . . 0.0 112.022 0.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 482' ' ' ALA . 88.2 Cg_endo -83.23 155.23 14.53 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.492 2.128 . . . . 0.0 112.368 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.44 ' O ' HG11 ' A' ' 490' ' ' VAL . 1.0 OUTLIER -103.25 79.54 0.32 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -49.83 -23.03 7.99 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.628 2.218 . . . . 0.0 112.21 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -87.89 -27.05 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.9 t-160 -86.54 -36.2 19.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.44 HG11 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.85 -37.71 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.486 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.476 ' CD1' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.29 -24.4 67.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.29 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 2.3 t30 -69.52 -54.51 13.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.647 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -54.83 -26.84 37.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 476' ' ' TYR . 4.0 mm? -68.02 -49.14 63.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.232 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 5.3 ptmt -57.39 -29.75 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.988 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -83.76 -47.84 10.73 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.117 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.494 ' CE1' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -55.03 -39.01 68.69 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . 0.41 HG21 ' CD2' ' A' ' 497' ' ' TYR . 59.5 t -63.95 -41.81 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.296 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.82 61.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.75 67.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.41 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.405 ' OE2' ' CE1' ' A' ' 497' ' ' TYR . 1.1 mt-10 -64.5 -48.32 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.026 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.53 -37.81 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.324 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.72 -33.3 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.109 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.65 -42.32 95.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.295 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -59.98 -42.22 93.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.205 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.51 -29.91 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.086 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.2 m -63.01 -44.27 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.43 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.0 mp -55.98 -37.95 69.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.771 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.58 -49.21 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.732 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -57.82 -38.32 75.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.439 ' CE1' ' HB ' ' A' ' 530' ' ' VAL . 0.0 OUTLIER -54.99 -51.39 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.549 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.71 -34.43 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.089 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -64.6 -58.51 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.414 ' CG1' ' CD1' ' A' ' 526' ' ' ILE . 14.6 p -60.48 -24.39 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.09 -23.39 54.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.1 mtm -84.84 -24.51 28.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.332 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -110.1 -41.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.427 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 515' ' ' VAL . 13.5 m-20 -126.91 80.26 71.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.72 -50.66 11.87 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.582 2.188 . . . . 0.0 112.359 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -51.49 69.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -40.57 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.802 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.23 -31.84 54.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.22 -30.27 57.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -74.64 -29.89 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.414 ' CD1' ' CG1' ' A' ' 515' ' ' VAL . 36.3 pt -85.33 -12.6 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.567 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.06 -44.06 2.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.788 0.328 . . . . 0.0 111.692 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -79.76 -30.08 40.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -45.76 37.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.556 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.439 ' HB ' ' CE1' ' A' ' 512' ' ' PHE . 63.8 t -62.79 -33.03 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.092 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.423 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 2.2 mmt -65.11 -52.86 52.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.448 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 12.1 t -58.56 -28.71 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -46.1 85.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.423 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -64.09 -44.69 91.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.114 0.483 . . . . 0.0 109.809 179.121 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -58.37 -39.75 80.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.955 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.416 HG13 ' HG3' ' A' ' 540' ' ' ARG . 42.5 t -55.72 -40.5 61.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.708 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -52.37 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.684 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -75.89 -40.34 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.301 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.49 -55.75 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.416 ' HG3' HG13 ' A' ' 536' ' ' VAL . 1.7 mtt180 -57.38 -30.09 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 35.6 ttm -60.32 -36.35 77.73 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -65.89 -35.04 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.878 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.91 -44.69 86.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -39.15 75.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.083 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 548' ' ' LEU . 40.0 mt -60.31 -28.56 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.591 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 0.3 OUTLIER -69.01 -39.04 79.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 110.404 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 25.2 mt -60.57 -48.18 82.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.363 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.46 ' HB3' ' OH ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -74.07 -31.51 62.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.45 179.175 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.451 ' HB3' ' HA ' ' A' ' 546' ' ' SER . 0.3 OUTLIER -54.53 -23.99 18.83 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.859 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -46.62 -29.2 1.73 Allowed 'General case' 0 C--N 1.339 0.109 0 CA-C-O 121.248 0.547 . . . . 0.0 109.561 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.1 t -107.23 74.5 0.4 Allowed Pre-proline 0 N--CA 1.456 -0.168 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.478 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.16 -29.08 3.89 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.749 2.299 . . . . 0.0 112.558 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.44 -50.9 41.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.966 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 70.9 t -77.76 -40.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.429 ' HA ' ' CD2' ' A' ' 548' ' ' LEU . . . -51.88 -34.09 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.795 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -77.97 -50.21 12.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.669 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -61.48 -40.25 93.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.38 -38.9 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.745 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -43.09 97.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 110.958 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.62 -47.27 84.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.025 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.04 -39.42 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.401 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.0 t -62.15 -54.77 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.767 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 1.8 m-20 -57.8 -35.22 70.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.386 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.49 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 63.9 mt-10 -71.39 -24.46 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.365 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 491' ' ' PHE . 0.3 OUTLIER -78.02 -32.89 51.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.837 -179.398 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.4 mt -86.82 -16.34 36.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.49 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 12.6 mt-30 -54.22 -45.96 72.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.928 0.394 . . . . 0.0 110.715 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -27.96 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.168 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.988 0.423 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.66 72.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.874 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -38.8 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.799 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.97 -36.52 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -72.89 -40.71 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.75 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.13 -51.97 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -57.3 -31.13 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -82.44 -45.98 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.737 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -52.21 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.223 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.79 -36.95 84.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.61 90.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.026 0.441 . . . . 0.0 110.386 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.427 HD22 ' CE2' ' A' ' 476' ' ' TYR . 1.2 tm? -72.6 -46.28 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.819 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -27.0 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.505 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -70.27 -47.85 59.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.472 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -64.99 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.978 0.418 . . . . 0.0 110.087 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 17.4 mm -57.4 -34.08 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.379 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 98.1 m -59.15 -46.64 87.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.01 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.25 -29.79 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.291 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 7.2 mt -60.81 -42.72 98.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.172 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 482' ' ' ALA . 83.5 mm-40 -87.19 -13.13 44.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.468 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -32.15 -54.83 0.31 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 44.8 t 45.67 96.91 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.853 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 11.7 Cg_exo -71.12 132.35 23.86 Favored 'Cis proline' 0 C--N 1.349 0.567 0 C-N-CA 123.746 -1.356 . . . . 0.0 111.922 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 484' ' ' PRO . 4.1 Cg_exo -79.2 160.39 26.41 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.549 2.166 . . . . 0.0 112.185 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.58 81.08 3.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.97 -27.51 4.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.739 2.292 . . . . 0.0 112.981 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . 0.483 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -90.32 -21.08 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.479 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.483 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 10.1 t-160 -88.22 -37.77 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 491' ' ' PHE . 4.1 m -62.92 -44.31 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.67 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.478 ' CD1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.51 -28.57 55.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.914 0.388 . . . . 0.0 110.601 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -67.57 -51.21 53.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.742 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.472 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.64 -32.42 63.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 476' ' ' TYR . 2.8 mm? -61.81 -51.77 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 0.1 OUTLIER -55.68 -29.53 59.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.256 -179.525 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.426 ' CD ' ' HA ' ' A' ' 493' ' ' MET . 8.1 mtpt -74.28 -48.92 25.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.1 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -33.66 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.708 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.11 -50.64 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.41 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -28.15 20.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -44.21 90.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.209 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -58.94 -43.04 91.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.598 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.84 -39.2 88.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.49 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.75 -34.08 71.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.427 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -58.85 -39.18 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.482 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -63.85 -32.64 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.607 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -38.57 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.437 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 31.8 m -61.85 -39.1 90.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.443 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -39.73 73.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.34 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -72.6 -37.73 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -59.78 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -59.08 -53.43 58.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.56 -28.89 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.233 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -67.91 -61.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.655 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 519' ' ' ASP . 12.7 p -61.71 -21.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -28.49 62.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.878 0.371 . . . . 0.0 110.976 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' MET . . . . . 0.406 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.3 OUTLIER -79.36 -47.13 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' A' ' 517' ' ' MET . 13.7 m -79.52 -43.75 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.397 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 515' ' ' VAL . 14.4 m-20 -134.85 80.5 49.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.41 -53.17 5.02 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.343 2.029 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -58.6 -49.53 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -36.85 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -55.6 -31.67 62.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.84 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -74.31 -27.0 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 25.6 pt -91.28 -11.99 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.653 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.486 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 13.9 mtp180 -41.17 -49.49 3.54 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.831 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.27 71.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -50.71 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.195 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 61.8 t -62.72 -30.81 50.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.094 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 1.7 mmt -69.17 -50.68 45.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 7.4 t -60.19 -31.73 70.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.527 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.97 -42.59 94.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.255 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.76 -44.05 97.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.032 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -61.19 -44.62 97.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.445 HG13 ' HG3' ' A' ' 540' ' ' ARG . 37.7 t -52.55 -40.32 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.691 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -53.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.621 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -41.93 52.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.129 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -60.25 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.445 ' HG3' HG13 ' A' ' 536' ' ' VAL . 40.6 mtp85 -56.85 -36.78 70.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.73 -35.02 68.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.24 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.22 -31.11 68.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.85 -39.98 94.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 2.9 t -61.43 -42.96 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.368 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 548' ' ' LEU . 18.2 mt -68.44 -25.77 65.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.773 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 31.8 t -76.91 -39.82 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.122 0.487 . . . . 0.0 110.192 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.93 -36.26 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.382 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.434 ' CD2' ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.65 -29.67 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.008 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 546' ' ' SER . 0.0 OUTLIER -54.66 -24.15 20.49 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -46.79 -29.61 2.03 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.174 0.511 . . . . 0.0 109.923 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.83 77.13 0.32 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.792 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.69 -27.42 5.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.715 2.277 . . . . 0.0 112.405 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.74 -53.87 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 78.0 t -75.32 -42.64 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.664 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -51.63 -34.99 40.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.593 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.69 -50.94 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.06 -44.63 94.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 pp -69.86 -38.5 75.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -60.5 -41.56 94.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 111.147 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -50.33 74.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.67 -34.35 60.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.399 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.479 ' HA ' HD22 ' A' ' 565' ' ' LEU . 3.0 t -65.08 -56.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.66 -29.84 64.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 32.6 mt-10 -77.48 -23.2 50.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.212 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -80.83 -34.17 34.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.514 -179.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.427 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.5 mt -86.81 -17.67 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.7 pt20 -61.06 -52.98 62.65 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.139 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.94 -52.39 65.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.032 -179.727 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.039 0.447 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.61 72.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.1 mtp -67.95 -42.84 80.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 29.4 mt -58.8 -40.4 83.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -65.24 -43.0 92.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.99 -48.36 80.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.709 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -58.04 -31.59 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -83.43 -46.16 12.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -50.75 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.87 -39.92 95.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.418 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.26 -39.59 92.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.087 0.47 . . . . 0.0 110.136 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 476' ' ' TYR . 0.2 OUTLIER -70.22 -52.75 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.652 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.82 -25.23 66.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.187 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . 0.401 ' HB3' ' HG2' ' A' ' 493' ' ' MET . 5.5 m-20 -68.49 -50.82 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.542 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.473 ' CZ ' HD12 ' A' ' 473' ' ' LEU . 0.7 OUTLIER -70.23 -33.77 72.06 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.935 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 20.4 mm -60.07 -33.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.894 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 77.2 m -67.11 -46.45 74.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.671 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.04 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.129 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 11.8 mt -59.68 -45.84 90.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 482' ' ' ALA . 7.8 mp0 -87.21 -11.73 48.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.578 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -29.22 -51.84 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 62.7 t 47.04 95.57 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.512 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.31 133.65 32.05 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.519 -1.45 . . . . 0.0 112.15 -0.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -77.65 156.98 31.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.327 2.018 . . . . 0.0 112.245 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -113.75 79.46 4.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.035 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.05 -28.59 14.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.45 2.1 . . . . 0.0 112.439 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -23.68 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 14.7 t-160 -87.75 -38.06 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 2.5 m -62.39 -36.36 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.712 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -58.39 -30.36 66.77 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.169 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.12 -45.92 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -59.29 -36.98 76.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.536 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 476' ' ' TYR . 4.0 mm? -58.2 -47.18 84.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.051 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.455 ' HG2' HD12 ' A' ' 565' ' ' LEU . 11.9 mtpt -49.34 -44.3 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.959 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 493' ' ' MET . 0.3 OUTLIER -64.07 -47.06 81.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.418 ' HB2' ' CB ' ' A' ' 472' ' ' ALA . 0.0 OUTLIER -66.74 -36.05 81.54 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 75.5 t -70.21 -48.58 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.287 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -24.36 65.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.286 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.13 -37.07 72.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.36 -47.78 82.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.016 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -54.99 -35.59 64.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -69.06 -24.81 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.441 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -78.73 -37.34 41.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.379 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -59.22 -54.83 42.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.056 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -29.24 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.984 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -68.47 -34.87 76.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.771 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 47.8 m -58.21 -42.44 86.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.163 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -56.08 -53.7 53.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 179.168 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -56.67 -37.41 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -41.87 80.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -54.07 -50.12 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.302 179.216 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.13 -32.86 61.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -57.37 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 519' ' ' ASP . 11.8 p -62.32 -23.85 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.841 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.76 -23.26 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 13.3 mtm -83.2 -27.2 30.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.153 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 2.7 m -107.46 -39.82 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 515' ' ' VAL . 3.8 m-20 -128.17 70.39 78.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.99 -49.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.522 2.148 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -53.25 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.716 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . 0.402 ' CE ' ' CG2' ' A' ' 526' ' ' ILE . 0.2 OUTLIER -62.14 -36.33 81.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.07 -32.82 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.62 53.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.69 -24.99 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 529' ' ' GLN . 31.0 pt -88.81 -8.07 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.878 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.535 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.55 -45.05 3.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.5 m -71.78 -30.2 65.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -73.01 -44.79 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.428 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 512' ' ' PHE . 11.7 t -58.6 -32.97 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.22 0.533 . . . . 0.0 110.427 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.405 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 5.9 mmt -63.34 -55.65 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.436 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 14.0 t -54.6 -26.43 32.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.278 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -50.79 72.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.196 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -59.61 -42.57 92.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.19 0.519 . . . . 0.0 109.945 179.144 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 -61.6 -41.1 96.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.042 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.438 HG12 ' CG ' ' A' ' 540' ' ' ARG . 39.5 t -56.66 -38.32 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.588 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.84 -53.06 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.19 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.15 -46.73 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.71 -48.86 76.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.634 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.438 ' CG ' HG12 ' A' ' 536' ' ' VAL . 30.4 mmt-85 -59.23 -32.48 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.4 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' MET . . . . . 0.407 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 27.4 ttm -57.44 -37.02 72.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.027 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -68.44 -33.74 74.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.229 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -41.41 96.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.532 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' SER . . . . . 0.406 ' CB ' ' OH ' ' A' ' 497' ' ' TYR . 4.2 t -60.16 -44.02 95.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.409 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.434 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 51.1 mt -56.38 -31.78 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 2.3 m -70.6 -43.28 69.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.452 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.7 -38.5 85.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.417 ' CD1' ' C ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -86.16 -29.64 23.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.212 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 545' ' ' LEU . 1.0 OUTLIER -59.03 -20.82 56.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.746 0.308 . . . . 0.0 110.327 178.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -46.29 -29.64 1.72 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.962 0.41 . . . . 0.0 110.311 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.2 t -104.07 78.08 0.31 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.185 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -47.82 -27.39 8.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.608 2.205 . . . . 0.0 112.322 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.17 -49.49 43.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.56 -42.93 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -52.57 -36.15 55.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.93 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -37.92 59.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.372 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.67 -44.15 62.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.11 0.481 . . . . 0.0 110.145 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 pp -69.44 -35.59 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.2 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -60.37 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.367 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.55 -54.29 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.702 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.4 -35.8 71.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.289 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.432 ' HA ' HD21 ' A' ' 565' ' ' LEU . 3.1 t -63.69 -56.48 16.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.301 . . . . 0.0 110.348 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -50.87 -32.41 20.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.223 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.511 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 10.5 mt-10 -68.88 -26.58 65.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.237 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.455 HD12 ' HG2' ' A' ' 495' ' ' LYS . 0.5 OUTLIER -74.8 -38.42 62.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 111.527 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.31 -16.87 55.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.511 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 13.8 mt-30 -56.06 -48.98 75.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.632 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -84.03 -32.05 25.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.486 179.75 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.02 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.687 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 5.0 mmm -67.26 -43.58 81.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.36 -34.8 79.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.17 -30.67 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.32 -58.45 6.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -57.25 -30.26 64.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.676 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -50.08 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -60.32 3.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 0.0 110.246 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -32.39 47.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.643 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.98 53.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.424 ' O ' ' CD2' ' A' ' 476' ' ' TYR . 0.1 OUTLIER -68.79 -38.55 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.975 179.365 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.23 -25.06 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -69.62 -51.24 36.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.19 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.474 ' CG ' HD21 ' A' ' 494' ' ' LEU . 0.4 OUTLIER -63.84 -36.65 84.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.11 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.564 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 15.2 mm -57.02 -34.28 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.332 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 83.8 m -66.99 -46.45 74.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -61.08 -27.81 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.189 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 10.8 mt -59.44 -50.95 71.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.408 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -80.79 -12.79 59.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.759 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.63 -52.51 0.68 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 44.8 t 45.72 96.76 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.751 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.31 134.49 28.82 Favored 'Cis proline' 0 C--N 1.348 0.525 0 C-N-CA 123.538 -1.443 . . . . 0.0 112.006 -0.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.49 155.13 9.18 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.524 2.149 . . . . 0.0 112.493 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -105.7 76.38 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.26 -23.91 24.9 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.645 2.23 . . . . 0.0 112.483 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.93 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.422 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.4 t-160 -87.95 -35.96 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.11 -34.96 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.502 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.519 ' CD2' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -60.65 -28.77 68.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.121 179.515 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 6.7 t30 -68.66 -55.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -52.01 -28.73 18.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.474 HD21 ' CG ' ' A' ' 476' ' ' TYR . 3.9 mm? -63.48 -54.57 34.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 11.9 ptmt -55.2 -26.18 37.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.005 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.456 ' CD1' HG21 ' A' ' 498' ' ' VAL . 0.0 OUTLIER -59.26 -27.88 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.923 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 497' ' ' TYR . 75.1 t -73.09 -55.44 12.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.287 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -28.16 9.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.958 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.52 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.791 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.33 -44.83 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.493 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -55.9 -43.15 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.74 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -59.02 -39.59 82.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.666 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -31.96 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -32.43 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 91.2 m -67.15 -31.9 72.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.588 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -40.04 79.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.202 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -59.55 -41.36 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -60.01 -42.52 94.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.481 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.97 -47.83 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.971 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -81.54 -39.33 24.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -63.53 -55.64 22.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.01 -28.49 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.264 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.53 -23.53 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 68.7 mtm -89.86 -15.35 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.37 -46.2 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 111.512 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -125.25 74.02 67.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.291 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.45 -31.66 88.19 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.645 2.23 . . . . 0.0 112.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.24 -57.08 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . 0.402 ' HA ' ' HG3' ' A' ' 525' ' ' GLN . 0.0 OUTLIER -75.05 -27.11 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -55.08 -39.6 69.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.406 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -72.52 -31.01 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . 0.402 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 6.8 mt-30 -76.23 -28.85 57.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 36.2 pt -85.43 -17.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.503 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 20.9 mtp180 -40.99 -52.37 3.14 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.666 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -36.06 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.896 0.379 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.58 -38.44 62.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.242 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.62 -34.51 61.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.442 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.425 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 9.8 mmt -64.28 -41.25 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.46 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' THR . . . . . 0.502 ' HA ' ' CD ' ' A' ' 535' ' ' ARG . 11.5 t -68.49 -26.21 65.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -39.85 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.52 -53.96 19.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.184 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 9.2 ptm180 -63.63 -29.53 70.76 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.235 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 532' ' ' THR . 2.5 t -64.25 -37.22 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -53.16 49.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.99 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -46.29 53.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.658 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -56.3 -47.46 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -58.1 -33.21 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 21.5 ttm -58.25 -35.9 72.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.96 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -69.27 -31.85 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.305 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.28 -43.52 97.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.624 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 1.5 t -61.32 -39.23 89.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 548' ' ' LEU . 48.0 mt -61.1 -29.67 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.679 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.7 OUTLIER -70.95 -34.27 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.84 -37.32 86.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.49 -33.12 19.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.047 179.483 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 3.3 m-85 -53.52 -23.99 12.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -48.05 -28.59 2.92 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.108 0.48 . . . . 0.0 110.061 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.16 76.41 0.31 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.899 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -47.48 -28.5 8.83 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.31 -48.55 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.3 t -82.92 -42.05 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' A' ' 548' ' ' LEU . . . -51.88 -36.24 47.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.108 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.77 -42.04 58.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.88 -42.86 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.115 0.483 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.401 HG12 HD22 ' A' ' 548' ' ' LEU . 2.3 pp -71.44 -36.17 59.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.749 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -63.71 -45.89 87.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.807 0.337 . . . . 0.0 111.133 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -44.67 85.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.84 -41.28 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 2.7 t -61.29 -53.76 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -34.84 70.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.507 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 30.7 mt-10 -70.29 -24.37 63.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.519 HD23 ' CD2' ' A' ' 491' ' ' PHE . 0.3 OUTLIER -75.95 -35.24 59.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.909 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.466 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.8 mp -86.7 -16.2 37.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.507 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 14.7 mt-30 -52.97 -47.1 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -77.66 -32.78 53.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.635 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.616 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 N--CA 1.46 0.063 0 CA-C-O 121.049 0.452 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.5 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.648 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.1 mmm -67.26 -36.27 81.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.84 -45.28 86.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.767 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -62.53 -36.06 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.38 -48.46 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -57.07 -34.93 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -82.28 -45.12 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.668 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.89 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.17 -39.77 91.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.602 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.73 -40.52 92.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.037 0.446 . . . . 0.0 110.184 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.46 HD21 ' CE1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -70.07 -50.93 36.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.812 179.078 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -26.75 68.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.632 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -71.08 -49.11 48.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.383 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.491 ' CG ' HD22 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -69.62 -30.57 68.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.226 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 19.2 mm -63.48 -33.64 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.031 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 66.9 m -60.84 -45.22 95.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -66.42 -26.05 67.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 9.9 mt -64.45 -41.74 96.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.26 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -84.5 -13.93 50.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.701 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -36.89 -55.5 0.9 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 44.0 t 44.82 95.75 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.903 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.46 134.54 27.27 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.0 -0.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 85.1 Cg_endo -82.76 167.62 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.38 2.053 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 490' ' ' VAL . 29.3 mtt180 -112.11 78.11 2.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.29 -27.26 4.59 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.475 2.117 . . . . 0.0 112.721 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -88.4 -21.87 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.578 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 2.4 t-160 -88.14 -37.79 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 486' ' ' ARG . 5.9 m -64.27 -39.26 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.866 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.46 ' CD1' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.54 -27.3 69.16 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' A' ' 496' ' ' LYS . 11.8 t30 -65.26 -59.56 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.416 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.72 -29.67 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.943 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.491 HD22 ' CG ' ' A' ' 476' ' ' TYR . 3.9 mm? -62.3 -49.55 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 6.8 ptmt -60.46 -29.24 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.701 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -79.96 -44.52 20.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.031 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.46 ' CE1' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -62.73 -35.31 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.521 179.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.05 -47.85 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.398 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -26.06 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.611 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.87 -40.26 72.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.09 -42.78 99.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.1 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -57.41 -35.73 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.456 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.97 -38.44 88.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.16 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -73.76 -39.13 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.335 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -59.9 -54.35 47.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.244 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -61.26 -27.81 68.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.83 79.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.195 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.0 m -60.19 -48.2 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.097 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 1.0 OUTLIER -56.96 -52.13 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.496 179.29 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.24 -43.24 92.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.043 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -45.24 83.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.866 0.365 . . . . 0.0 110.76 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -56.87 -46.41 81.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.056 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -45.42 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.91 -52.0 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 519' ' ' ASP . 10.3 p -62.97 -24.21 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.206 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 12.4 ttm105 -76.36 -23.25 54.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 10.9 mtp -87.27 -21.4 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.407 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 14.2 m -114.14 -44.67 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 111.504 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 515' ' ' VAL . 1.2 m-20 -122.65 77.64 47.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.45 -55.29 2.22 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.92 -50.85 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.635 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -39.08 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.65 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.502 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -56.46 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.274 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.17 60.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -40.09 51.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.107 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.502 HG12 ' HA ' ' A' ' 523' ' ' ALA . 38.7 pt -71.92 -17.73 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.587 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.481 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 3.8 mtp180 -40.66 -45.68 2.42 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 57.8 m -73.14 -32.55 64.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.68 -50.19 11.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.432 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 512' ' ' PHE . 39.3 t -61.02 -31.18 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.2 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 10.6 mmt -68.46 -52.27 34.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 11.9 t -61.21 -32.85 72.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.987 0.422 . . . . 0.0 110.217 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -58.56 -39.47 80.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.312 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -48.57 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.189 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.46 -36.77 81.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.415 HG11 ' CG ' ' A' ' 540' ' ' ARG . 45.8 t -58.59 -39.74 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.364 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.76 -54.46 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -43.28 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -58.99 -54.7 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.415 ' CG ' HG11 ' A' ' 536' ' ' VAL . 14.0 mmm180 -54.73 -37.5 65.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.688 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 7.7 ttm -56.08 -35.06 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -71.37 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.1 -41.44 74.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 5.5 m -60.41 -37.59 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 548' ' ' LEU . 96.6 mt -61.77 -53.86 50.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 m -50.36 -34.8 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.42 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.51 -41.85 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.646 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -83.64 -31.74 26.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.431 ' HB2' ' HA ' ' A' ' 546' ' ' SER . 5.1 m-85 -55.95 -22.75 28.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.205 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -47.53 -29.46 2.82 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.105 0.479 . . . . 0.0 109.913 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.72 77.68 0.33 Allowed Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.914 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.32 -28.29 5.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.778 2.319 . . . . 0.0 112.467 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.87 -54.13 12.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.07 -43.21 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.403 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -51.55 -36.43 45.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.735 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.2 -50.13 20.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.505 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -71.52 -39.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.85 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.71 -41.96 96.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 111.309 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.47 -50.99 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.74 -33.75 62.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.561 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.465 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.6 t -63.18 -53.92 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.153 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.98 -34.87 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.9 0.381 . . . . 0.0 110.565 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.453 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.0 mm-40 -73.33 -24.61 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.376 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -80.0 -31.5 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.495 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.404 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.75 -17.01 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.453 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 22.6 mt-30 -49.88 -41.02 44.69 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.085 0.469 . . . . 0.0 110.569 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -32.4 50.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.897 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.079 0.466 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.17 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.771 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 30.1 mtp -64.98 -41.85 95.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.752 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.94 -32.24 73.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.28 -40.94 74.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -53.32 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -87.5 -37.95 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.806 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -48.83 58.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.61 -36.71 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.402 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.25 86.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 497' ' ' TYR . 0.5 OUTLIER -75.39 -45.54 38.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.928 179.148 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -28.13 68.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -71.03 -44.78 65.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.526 ' CG ' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.37 -37.82 83.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.97 0.414 . . . . 0.0 110.131 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 16.5 mm -57.32 -34.25 45.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.371 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.2 m -58.44 -46.67 86.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.982 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.76 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.31 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 7.2 mt -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.201 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -85.28 -13.14 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.42 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.54 -55.45 0.68 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.929 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 47.7 t 47.04 96.59 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.58 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.96 134.97 35.77 Favored 'Cis proline' 0 C--N 1.348 0.541 0 C-N-CA 123.425 -1.49 . . . . 0.0 112.296 0.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -82.09 152.81 16.5 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.591 2.194 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.419 ' O ' HG12 ' A' ' 490' ' ' VAL . 0.0 OUTLIER -102.57 81.18 0.36 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.808 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.29 -25.96 7.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.764 2.31 . . . . 0.0 112.305 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.54 -24.45 25.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.466 ' O ' ' CE ' ' A' ' 493' ' ' MET . 2.2 t-160 -87.5 -36.09 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.97 -36.84 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.858 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.427 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -62.18 -22.93 66.3 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.422 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 20.9 t30 -73.51 -53.96 9.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -55.75 -30.75 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.627 179.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 476' ' ' TYR . 3.7 mm? -63.4 -50.18 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.412 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 10.0 ptmt -59.27 -30.62 68.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -73.67 -44.54 56.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.344 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.435 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -66.52 -33.47 75.76 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 85.2 t -66.01 -50.8 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.411 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -28.03 30.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.645 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.51 77.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.4 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -61.55 -45.55 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.588 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -54.56 -45.29 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.749 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -32.0 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.619 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.19 -44.28 76.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.414 ' N ' HD11 ' A' ' 537' ' ' ILE . 45.6 ttt180 -56.78 -48.77 77.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.668 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.43 -29.15 68.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.563 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -40.86 75.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 533' ' ' HIS . 2.3 m -58.1 -38.16 75.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.492 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -52.94 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.554 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -35.02 75.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -28.57 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.344 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.433 ' HB2' ' CG1' ' A' ' 530' ' ' VAL . 0.1 OUTLIER -84.65 -40.97 16.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 0.0 110.142 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -43.81 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.104 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.524 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.52 -22.97 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . 0.422 ' HA ' ' CB ' ' A' ' 523' ' ' ALA . 48.5 ttt180 -72.75 -24.07 60.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 5.1 mtp -87.73 -24.45 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.83 -41.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.675 0.274 . . . . 0.0 111.57 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.39 71.79 80.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.79 -23.07 74.37 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.193 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -64.47 -56.56 13.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.283 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -29.28 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.445 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.55 -37.14 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.9 -32.32 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -75.87 -28.84 58.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.445 HG12 ' HA ' ' A' ' 523' ' ' ALA . 38.0 pt -84.59 -9.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.677 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.77 -44.96 6.99 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 66.5 m -72.85 -30.74 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.36 -45.63 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.391 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 512' ' ' PHE . 96.5 t -63.52 -33.98 64.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 0.0 110.136 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.418 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.0 mmt -61.15 -47.83 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.593 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 535' ' ' ARG . 11.9 t -64.57 -24.09 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.238 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . 0.446 ' HB3' ' CG2' ' A' ' 508' ' ' THR . 1.0 OUTLIER -62.81 -38.62 91.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -64.94 -57.72 8.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.172 0.51 . . . . 0.0 109.816 179.013 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 532' ' ' THR . 10.2 ptm180 -61.07 -29.17 69.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.136 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.2 -38.2 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.051 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . 0.414 HD11 ' N ' ' A' ' 505' ' ' ARG . 0.4 OUTLIER -55.93 -52.59 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.971 179.195 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.31 -46.44 41.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.81 -46.52 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.678 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -57.61 -40.26 78.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 14.7 ttm -53.21 -35.55 60.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.422 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -33.23 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -63.85 -36.73 84.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 10.2 t -65.65 -41.32 92.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.702 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 548' ' ' LEU . 27.7 mt -61.89 -28.35 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 24.7 p -71.62 -39.97 70.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.075 0.465 . . . . 0.0 110.528 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 21.9 mt -63.21 -35.77 81.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.467 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -86.94 -31.74 20.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.774 179.34 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.441 ' HA ' ' CB ' ' A' ' 555' ' ' ALA . 1.3 m-85 -55.99 -22.83 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.09 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -47.2 -29.49 2.38 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.105 0.479 . . . . 0.0 109.91 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.58 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.792 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.35 -27.62 5.05 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.836 2.358 . . . . 0.0 112.506 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.9 -54.01 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.0 -43.68 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.767 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -51.4 -37.85 50.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.763 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.97 -50.23 30.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.443 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.52 -44.74 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.37 -36.11 65.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.735 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -61.68 -43.98 97.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.817 0.342 . . . . 0.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.69 -48.38 81.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . 0.403 ' OE1' ' CD2' ' A' ' 491' ' ' PHE . 16.9 pt-20 -76.77 -38.07 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.515 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.536 ' HA ' HD21 ' A' ' 565' ' ' LEU . 2.8 t -62.43 -56.15 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.88 0.371 . . . . 0.0 110.651 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.37 -34.31 66.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.615 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.501 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 57.7 mt-10 -71.15 -23.73 62.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.323 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -79.29 -32.35 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.54 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . 0.427 ' HG ' ' HG ' ' A' ' 565' ' ' LEU . 1.3 mt -86.54 -16.39 37.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.501 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 25.9 mt-30 -53.77 -46.33 70.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.951 0.405 . . . . 0.0 110.655 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -60.01 -51.73 68.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.97 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.996 0.427 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.91 71.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.77 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.6 mmm -68.29 -39.08 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 507' ' ' HIS . 11.7 mt -62.49 -33.78 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -74.7 -34.97 62.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -55.59 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -58.37 -27.14 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -85.64 -40.19 16.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -54.9 22.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.36 -35.83 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.274 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.18 98.64 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.042 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -69.25 -46.62 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.907 179.165 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -27.45 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.5 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -70.9 -48.56 53.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.247 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.456 ' CD1' HD22 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -65.72 -30.46 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 16.6 mm -64.99 -34.32 69.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.5 m -62.86 -46.8 86.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.919 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.72 70.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.1 mt -59.01 -46.52 88.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.377 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 482' ' ' ALA . 6.7 mp0 -85.93 -10.88 54.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.48 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -28.39 -51.6 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 52.7 t 43.27 97.49 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.886 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.41 134.54 34.62 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.753 -1.353 . . . . 0.0 112.052 -0.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -80.76 153.89 20.05 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.256 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 490' ' ' VAL . 15.6 mtt180 -112.72 79.67 3.38 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -45.87 -25.44 2.67 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.819 2.346 . . . . 0.0 112.985 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -27.18 22.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.72 0.295 . . . . 0.0 111.309 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.412 ' O ' ' CE ' ' A' ' 493' ' ' MET . 3.8 t-160 -86.53 -36.88 18.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 486' ' ' ARG . 4.0 m -63.6 -39.22 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.627 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -57.37 -28.89 63.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.887 0.375 . . . . 0.0 110.168 179.476 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.45 -45.25 69.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.419 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -58.14 -36.37 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.482 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 476' ' ' TYR . 3.5 mm? -58.64 -46.2 87.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 109.971 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.446 ' HG2' HD12 ' A' ' 565' ' ' LEU . 13.1 mtpt -49.48 -46.05 47.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.913 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -61.21 -48.84 79.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.461 ' CD1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.91 -31.57 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 109.983 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.02 -46.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.617 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -24.53 61.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.48 -41.85 60.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . 0.407 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 1.8 mt-10 -60.08 -50.08 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -53.26 -40.71 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.459 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.752 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.456 ' CG ' HG23 ' A' ' 537' ' ' ILE . 22.4 mtm105 -58.42 -50.73 72.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 110.085 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -56.42 -26.75 54.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.602 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . 0.414 ' CG ' HD12 ' A' ' 465' ' ' LEU . 0.3 OUTLIER -79.25 -32.98 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.379 179.57 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.402 ' CG2' ' CG1' ' A' ' 530' ' ' VAL . 91.0 m -63.53 -53.4 52.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.7 mp -57.7 -38.6 75.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.642 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.61 -44.76 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.688 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -59.19 -44.75 92.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -51.42 -46.5 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -78.17 -44.89 24.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.318 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.7 -53.67 54.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.52 -29.01 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -68.37 -23.59 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' MET . . . . . 0.413 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 1.0 OUTLIER -87.02 -48.45 8.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 110.452 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . 0.413 ' N ' ' CG ' ' A' ' 517' ' ' MET . 18.9 m -77.05 -46.02 29.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.392 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -129.15 79.36 74.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -46.93 29.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.607 2.205 . . . . 0.0 112.377 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -59.69 -53.3 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . 0.417 ' HA ' ' HG3' ' A' ' 525' ' ' GLN . 0.0 OUTLIER -58.96 -39.31 81.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . 0.468 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.79 -32.95 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.53 -31.16 53.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . 0.417 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 5.4 mt-30 -75.81 -23.88 55.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.468 HG12 ' HA ' ' A' ' 523' ' ' ALA . 38.9 pt -88.39 -6.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.748 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -40.88 -45.61 2.56 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.841 0.353 . . . . 0.0 111.449 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -32.27 40.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -46.3 65.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.402 ' CG1' ' CG2' ' A' ' 508' ' ' THR . 63.7 t -62.87 -35.18 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.273 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.409 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 11.2 mmt -63.26 -49.73 72.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.48 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 12.6 t -60.37 -25.31 65.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.051 0.453 . . . . 0.0 110.197 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -49.24 78.53 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.3 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.5 OUTLIER -60.4 -44.32 95.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.105 0.479 . . . . 0.0 110.178 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -40.63 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 17.6 t -55.84 -39.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.715 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . 0.456 HG23 ' CG ' ' A' ' 505' ' ' ARG . 0.9 OUTLIER -56.52 -56.47 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.83 -36.71 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.375 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.37 -53.96 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -57.74 -32.98 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.431 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 28.0 ttm -58.77 -35.35 72.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.169 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -71.32 -30.33 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.86 -35.33 80.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 32.8 t -68.1 -42.02 80.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.425 ' O ' HD13 ' A' ' 548' ' ' LEU . 16.7 mt -59.04 -31.74 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.59 -37.94 62.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.125 0.488 . . . . 0.0 110.363 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.23 -35.69 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.322 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -87.56 -32.25 19.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.036 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 1.2 m-85 -55.77 -22.96 26.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.165 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -47.49 -29.0 2.44 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.095 0.474 . . . . 0.0 110.172 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.55 75.85 0.32 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.854 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -46.96 -28.29 6.94 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 556' ' ' GLU . . . -69.38 -48.06 62.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.36 -42.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.077 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.403 ' CB ' HD21 ' A' ' 548' ' ' LEU . . . -51.46 -36.38 43.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 17.6 pt-20 -74.4 -47.96 30.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.6 -46.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.46 . . . . 0.0 110.546 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.34 -36.57 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.612 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.39 -37.93 79.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 111.138 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -54.72 30.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.81 -31.96 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.409 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.46 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.7 t -65.23 -57.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.361 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -51.21 -33.58 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.0 110.193 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 567' ' ' GLN . 13.4 mt-10 -67.18 -27.23 67.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.092 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.5 OUTLIER -73.92 -36.55 64.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.587 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -82.18 -15.51 52.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.428 ' CG ' ' HA ' ' A' ' 564' ' ' GLU . 5.0 mm-40 -52.4 -46.71 66.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.149 0.499 . . . . 0.0 110.476 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.81 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.984 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 121.007 0.432 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.82 73.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.558 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 17.0 mtp -71.93 -50.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.02 -34.43 63.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.445 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 470' ' ' ARG . 0.7 OUTLIER -59.22 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.267 179.396 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -53.95 -31.76 51.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -63.5 -35.79 81.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -80.21 -44.1 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.26 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 466' ' ' ASN . 4.0 mtt-85 -61.27 -53.67 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.362 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 472' ' ' ALA . 0.6 OUTLIER -60.48 -39.29 87.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.418 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -70.04 -35.82 74.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.39 . . . . 0.0 110.451 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.443 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.4 OUTLIER -74.89 -47.91 27.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.864 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.42 -26.78 68.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.555 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -70.15 -47.07 63.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' TYR . . . . . 0.473 ' CD1' HD23 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -69.07 -37.5 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.001 0.429 . . . . 0.0 109.934 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.578 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 20.0 mm -59.07 -33.51 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.305 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 87.4 m -61.4 -46.31 90.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.59 -29.27 70.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.216 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 9.2 mt -61.08 -50.9 71.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.363 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 482' ' ' ALA . 9.0 mp0 -87.15 -11.36 50.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -29.47 -51.38 0.11 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 59.0 t 46.99 95.36 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.47 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.13 134.28 33.01 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.44 -1.483 . . . . 0.0 112.188 -0.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -83.19 157.03 14.94 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -114.65 79.88 5.94 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.04 -26.19 10.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.561 2.174 . . . . 0.0 112.645 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -22.53 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' HIS . . . . . 0.41 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.1 t-160 -87.75 -36.08 17.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 491' ' ' PHE . 2.6 m -63.93 -42.89 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.302 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' PHE . . . . . 0.454 ' CD1' HD21 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.42 -29.05 33.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.042 0.448 . . . . 0.0 110.224 179.339 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 52.1 t30 -68.3 -52.63 31.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.365 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' MET . . . . . 0.427 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -54.33 -30.17 50.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.682 179.605 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 476' ' ' TYR . 3.2 mm? -61.43 -52.63 63.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 12.3 ptmt -57.81 -26.77 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.103 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 499' ' ' ARG . 0.0 OUTLIER -76.18 -43.53 42.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 109.898 179.203 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' TYR . . . . . 0.443 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -68.92 -31.08 69.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.08 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.32 -53.08 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -54.71 -26.74 35.79 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.438 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.442 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.08 -49.41 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.42 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -54.73 -37.34 65.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -63.04 -35.45 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -68.94 -40.32 79.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -57.62 -44.8 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.96 -27.93 67.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.616 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -31.91 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.456 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' THR . . . . . 0.404 HG22 ' CG1' ' A' ' 530' ' ' VAL . 88.3 m -69.76 -36.45 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -40.5 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.208 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -57.09 -46.21 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.73 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.66 -51.58 47.76 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.221 0.534 . . . . 0.0 110.544 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.32 -34.52 48.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.183 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -58.17 6.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.688 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 519' ' ' ASP . 12.3 p -61.17 -26.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.44 -23.06 58.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 60.7 mtm -88.03 -20.0 26.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.578 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 15.5 m -114.78 -45.49 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.185 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 515' ' ' VAL . 0.4 OUTLIER -121.41 77.41 35.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.05 -53.25 5.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 112.234 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -60.07 -53.04 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -39.02 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.786 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.93 -32.13 52.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' ALA . . . . . 0.414 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -76.55 -32.49 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -73.99 -24.83 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.037 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 34.0 pt -91.25 -18.24 7.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.679 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' ARG . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 3.5 mtp-105 -41.1 -53.61 3.02 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.722 0.296 . . . . 0.0 111.662 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -57.34 -36.73 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -43.52 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.309 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' VAL . . . . . 0.404 ' CG1' HG22 ' A' ' 508' ' ' THR . 21.7 t -60.28 -32.52 51.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.357 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' MET . . . . . 0.426 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 33.5 mmt -66.03 -56.72 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 14.0 t -55.34 -26.99 44.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.199 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.51 -50.44 73.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.399 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.18 -41.63 97.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.159 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -60.95 -42.71 98.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.181 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.408 HG13 ' CG ' ' A' ' 540' ' ' ARG . 48.1 t -55.25 -38.38 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.726 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -54.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.504 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.8 -42.21 50.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.77 -50.24 74.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' ARG . . . . . 0.408 ' CG ' HG13 ' A' ' 536' ' ' VAL . 20.1 mmm180 -58.38 -34.83 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 25.0 ttm -57.15 -35.83 70.0 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.141 0.496 . . . . 0.0 110.158 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -70.01 -31.85 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.502 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 9.6 t -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 548' ' ' LEU . 19.3 mt -63.91 -28.05 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 4.7 m -77.02 -36.25 56.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.138 0.494 . . . . 0.0 110.102 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.54 -35.04 76.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.429 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -87.68 -31.14 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.857 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 1.6 m-85 -54.41 -24.12 18.61 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -47.3 -28.94 2.19 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.42 76.71 0.28 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.723 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -47.27 -29.29 9.23 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.722 2.281 . . . . 0.0 112.532 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -50.4 46.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 99.2 t -79.77 -44.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.646 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -50.04 -33.88 19.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.454 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.93 -50.83 25.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.86 -46.28 90.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -68.34 -36.39 74.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.601 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -59.13 -39.61 82.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.775 0.321 . . . . 0.0 111.124 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -54.9 32.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.87 -29.35 64.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.431 ' HA ' HD21 ' A' ' 565' ' ' LEU . 16.0 t -71.25 -47.69 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.47 -29.62 69.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.608 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mm-40 -79.88 -24.07 41.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -82.08 -36.22 27.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.9 mt -86.79 -23.35 25.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.8 OUTLIER -66.53 -59.37 3.7 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.8 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.3 65.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.969 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.699 0.285 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . 0.451 ' CG1' ' CE1' ' A' ' 507' ' ' HIS . 99.3 t -72.76 -45.81 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.82 -43.3 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.428 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -66.52 -32.51 73.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.59 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.66 -41.7 87.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.663 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.413 HD11 ' CD2' ' A' ' 507' ' ' HIS . 1.5 mt -66.15 -34.31 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.675 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -65.03 -36.96 86.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.807 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -61.06 -53.13 61.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -55.0 -34.36 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.428 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 67.2 ttp85 -81.18 -38.68 26.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -62.62 1.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.558 . . . . 0.0 110.137 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 2.2 pp -53.35 -37.1 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.834 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.72 92.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.062 0.458 . . . . 0.0 110.255 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.474 HD22 ' CE2' ' A' ' 497' ' ' TYR . 1.1 tm? -72.44 -50.53 25.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.643 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -27.42 68.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.483 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -69.97 -48.88 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.515 ' CG ' HD22 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.49 -34.43 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 17.7 mm -60.51 -33.95 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.348 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -59.03 -46.36 88.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.956 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.4 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.18 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.4 mt -60.16 -42.99 96.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.349 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -83.85 -13.3 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.512 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -36.11 -52.78 0.78 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 484' ' ' PRO . 59.1 t 51.56 94.73 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 73.9 Cg_endo -75.31 133.63 32.23 Favored 'Cis proline' 0 C--N 1.348 0.51 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.235 -0.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -78.95 150.39 23.43 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.354 2.036 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.426 ' O ' HG11 ' A' ' 490' ' ' VAL . 0.3 OUTLIER -99.1 86.49 0.53 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.96 -22.0 13.4 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.411 2.074 . . . . 0.0 112.256 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -27.83 23.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.277 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.429 ' O ' ' CE ' ' A' ' 493' ' ' MET . 13.7 t-160 -86.37 -36.56 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 486' ' ' ARG . 3.8 m -65.58 -35.95 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.709 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.463 ' CD1' HD21 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -66.58 -25.92 66.86 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.124 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 6.8 t30 -66.06 -59.44 3.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.429 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.11 -31.04 17.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.606 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 476' ' ' TYR . 3.7 mm? -61.02 -51.43 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.451 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 6.4 ptmt -59.26 -28.3 66.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.713 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.451 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 1.8 mmmt -77.75 -47.72 18.34 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.474 ' CE2' HD22 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -61.24 -36.96 81.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.833 179.344 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . 0.402 ' HA ' ' HG2' ' A' ' 501' ' ' GLU . 93.3 t -63.86 -51.02 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.637 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -25.79 41.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.639 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.14 35.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.857 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 502' ' ' GLN . 1.2 pt-20 -60.27 -28.37 68.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 7.5 mt-30 -65.89 -48.24 72.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.456 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.66 -33.24 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.493 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.11 -46.5 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -57.53 -50.02 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -62.8 -29.99 71.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.481 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . 0.451 ' CE1' ' CG1' ' A' ' 461' ' ' VAL . 1.3 t-80 -68.29 -32.96 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.432 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 33.5 m -64.1 -44.2 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.1 mp -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.631 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -60.71 -36.97 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -35.41 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.527 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -57.09 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -32.79 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.373 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -61.77 -55.64 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.424 ' CG2' ' HD2' ' A' ' 522' ' ' LYS . 8.6 p -63.06 -28.86 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -69.46 -23.29 63.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.044 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' MET . . . . . 0.403 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.4 OUTLIER -88.64 -47.59 8.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 110.546 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . 0.403 ' N ' ' CG ' ' A' ' 517' ' ' MET . 23.4 m -79.4 -46.77 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.8 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.404 ' HB3' ' CG ' ' A' ' 522' ' ' LYS . 6.4 m-20 -127.29 74.29 77.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.1 -32.7 83.49 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.681 2.254 . . . . 0.0 112.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -56.97 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.067 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . 0.424 ' HD2' ' CG2' ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.59 -27.4 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.77 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.45 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -51.04 -41.76 60.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.738 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.71 -30.21 64.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.928 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -78.61 -33.16 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.45 HG12 ' HA ' ' A' ' 523' ' ' ALA . 1.4 pt -83.64 -12.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.69 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.527 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 8.2 mtp85 -42.61 -48.59 5.46 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 0.0 111.342 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.1 m -58.88 -32.66 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.13 -47.48 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.293 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 60.3 t -61.24 -32.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.231 0.539 . . . . 0.0 109.969 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.418 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 0.4 OUTLIER -62.77 -53.98 46.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.476 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 14.3 t -55.34 -26.93 43.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.41 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -49.59 77.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.124 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.58 -46.08 91.38 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.095 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -61.62 -40.12 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.062 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.431 HG12 ' CG ' ' A' ' 540' ' ' ARG . 24.6 t -57.83 -36.42 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.94 -54.68 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.69 -40.21 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.25 -49.73 76.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.431 ' CG ' HG12 ' A' ' 536' ' ' VAL . 18.7 mmt85 -58.6 -36.05 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.324 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 4.0 ttm -56.47 -35.0 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.299 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -70.49 -32.88 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.498 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -66.45 -41.96 88.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 2.9 m -60.43 -39.14 86.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.442 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 79.4 mt -61.48 -35.37 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 t -65.74 -36.97 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.0 -44.97 95.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.43 ' HB3' ' OH ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -79.93 -32.05 40.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.897 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 545' ' ' LEU . 2.4 m-85 -54.28 -24.17 17.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.062 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -47.24 -29.12 2.21 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-O 121.07 0.462 . . . . 0.0 110.044 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.9 t -104.67 78.05 0.35 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.866 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -45.97 -29.82 6.5 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.762 2.308 . . . . 0.0 112.422 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.99 -54.06 14.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 78.2 t -75.06 -41.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -52.93 -34.61 56.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.998 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -33.09 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.36 -42.99 58.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.478 . . . . 0.0 110.313 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -72.06 -36.85 58.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.502 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -61.52 -41.55 97.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -48.51 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.12 -34.12 56.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.602 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.483 ' HA ' HD21 ' A' ' 565' ' ' LEU . 2.6 t -63.54 -54.54 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.946 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.3 t0 -59.43 -35.3 73.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.496 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.9 mt-10 -72.79 -25.01 61.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.329 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -78.85 -31.78 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.568 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.68 -16.72 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.496 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.6 mt-30 -52.53 -44.92 66.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.975 0.417 . . . . 0.0 110.604 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -60.7 -30.27 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.918 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.11 -41.28 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.81 -49.22 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 110.509 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.44 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 13.1 mmm -66.17 -42.96 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.83 -34.5 74.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -74.86 -38.22 62.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -62.11 -52.88 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.0 ptm85 -56.73 -34.2 67.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -79.83 -42.45 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -61.18 2.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 0.0 110.275 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.58 -36.96 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.953 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.401 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -66.22 -39.27 89.49 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.01 0.433 . . . . 0.0 110.344 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.432 HD22 ' CE2' ' A' ' 476' ' ' TYR . 1.1 tm? -74.64 -44.77 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.37 -24.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.503 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -71.74 -47.56 52.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.464 ' CG ' HD22 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.11 -38.12 87.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 109.971 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 17.3 mm -57.52 -33.66 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.347 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.0 m -60.37 -46.32 90.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.991 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.25 -30.54 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.271 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.6 mt -59.05 -42.54 90.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.292 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -90.89 -13.33 33.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.511 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -34.16 -56.88 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 61.9 t 50.41 96.58 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.452 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.23 134.39 30.2 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.659 -1.392 . . . . 0.0 112.076 -0.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -85.4 148.52 10.15 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.516 2.144 . . . . 0.0 112.341 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -102.47 82.27 0.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -50.36 -23.48 10.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.618 2.212 . . . . 0.0 112.308 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -26.83 22.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -86.06 -36.73 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.23 -39.75 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.465 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -62.88 -24.69 67.94 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.349 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.414 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 49.4 t30 -66.98 -57.99 5.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -50.65 -30.93 14.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 0.0 110.772 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.464 HD22 ' CG ' ' A' ' 476' ' ' TYR . 3.6 mm? -62.05 -51.53 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 7.9 ptmt -58.76 -29.46 66.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.043 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.418 ' CD ' ' HA ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -77.88 -42.67 32.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.102 179.381 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.426 ' CD2' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.27 -34.1 76.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.231 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.62 -50.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -27.14 46.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.3 79.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.518 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.02 -45.87 90.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.309 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.41 -37.36 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.7 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -68.1 -32.58 72.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.28 -42.32 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -42.82 96.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.15 -29.0 70.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.443 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.497 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 52.9 m -66.44 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.495 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.347 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.69 -39.37 91.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -49.35 77.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.5 -42.78 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.027 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.85 -44.03 51.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.07 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -61.57 -54.96 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.409 ' CG1' ' CD1' ' A' ' 526' ' ' ILE . 13.2 p -62.08 -22.52 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -78.04 -23.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 22.0 mtm -88.11 -19.73 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.291 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 16.7 m -113.58 -45.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.78 78.89 39.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.38 -52.03 6.34 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.578 2.186 . . . . 0.0 112.314 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -58.7 -52.22 66.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.788 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -38.35 82.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.22 -31.27 61.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.026 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.56 59.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 526' ' ' ILE . 0.0 OUTLIER -73.66 -38.55 64.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.186 179.535 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.478 HG12 ' HA ' ' A' ' 523' ' ' ALA . 48.4 pt -74.7 -10.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.779 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -44.77 2.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 111.704 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 14.3 m -78.01 -30.83 50.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.433 ' HA ' HG22 ' A' ' 532' ' ' THR . 1.3 tt0 -74.62 -46.71 36.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.454 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 47.3 t -65.59 -34.21 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.037 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.416 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 10.1 mmt -66.93 -51.25 57.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.488 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 529' ' ' GLN . 14.7 t -58.7 -26.94 64.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.906 0.384 . . . . 0.0 110.139 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -50.71 72.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -60.2 -45.95 91.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.06 0.457 . . . . 0.0 110.339 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 531' ' ' MET . 9.1 mtp85 -61.14 -39.91 91.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.086 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 540' ' ' ARG . 40.6 t -56.12 -40.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -54.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -76.1 -40.84 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.294 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.73 -54.29 47.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.437 ' HG3' HG13 ' A' ' 536' ' ' VAL . 36.9 mtp180 -56.02 -35.88 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.57 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 22.0 ttm -56.47 -35.69 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.204 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -69.21 -32.63 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.388 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -62.78 -38.45 90.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.56 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 7.2 m -63.54 -43.08 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.428 ' O ' HD11 ' A' ' 548' ' ' LEU . 46.2 mt -56.72 -33.84 66.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -68.42 -36.55 79.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.96 0.41 . . . . 0.0 110.645 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.9 mt -62.1 -40.36 95.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -84.97 -31.31 23.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.866 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 545' ' ' LEU . 2.5 m-85 -55.19 -23.53 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.144 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -47.73 -28.89 2.69 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.112 0.482 . . . . 0.0 110.009 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.3 t -105.13 77.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.872 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.83 -29.41 5.72 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.868 2.378 . . . . 0.0 112.526 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.18 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 84.2 t -74.85 -42.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.401 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -51.41 -35.79 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.547 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -73.15 -51.01 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.44 -46.53 88.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 pp -68.67 -37.47 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.557 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -60.22 -35.3 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -66.28 -52.06 51.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.73 -30.85 61.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.599 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.581 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.4 t -64.09 -57.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.2 -34.35 66.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.468 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 38.2 mt-10 -71.91 -23.72 61.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.1 OUTLIER -80.1 -32.48 39.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.464 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.434 ' HG ' ' HG ' ' A' ' 565' ' ' LEU . 2.2 mt -86.57 -15.81 38.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.468 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 21.0 mt-30 -51.64 -44.68 63.06 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.508 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.32 -32.26 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.85 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.879 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.755 0.312 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.01 -42.7 83.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -51.98 -44.35 63.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.473 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.12 71.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.617 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.2 mtp -64.76 -48.09 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.679 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.89 -33.26 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.478 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -52.13 58.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.657 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -55.41 -42.04 73.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.807 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -59.42 -29.89 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -83.06 -42.17 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -61.73 -60.49 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.199 0.523 . . . . 0.0 109.875 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.28 -36.3 68.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.613 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.35 -42.14 84.01 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.463 HD21 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -69.55 -47.14 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 179.27 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.14 -27.58 69.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.329 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -69.81 -48.97 57.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.454 ' CE2' HD22 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -64.68 -35.62 81.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.853 0.358 . . . . 0.0 110.25 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 15.9 mm -60.21 -33.56 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.8 m -58.28 -47.01 84.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.069 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.08 -32.79 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.202 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.7 mt -58.73 -42.46 88.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 482' ' ' ALA . 82.2 mm-40 -87.86 -11.98 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.245 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -29.85 -53.47 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 52.2 t 46.17 96.37 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.627 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.18 135.19 38.73 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.446 -1.481 . . . . 0.0 112.222 -0.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.9 153.18 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.502 2.135 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -112.68 80.56 3.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -46.35 -25.6 3.35 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.703 2.269 . . . . 0.0 112.801 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -25.79 23.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.407 ' O ' ' CE ' ' A' ' 493' ' ' MET . 6.5 t-160 -87.3 -35.5 18.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 3.8 m -64.2 -40.52 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.735 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -53.47 -29.61 36.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.003 0.43 . . . . 0.0 110.163 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 1.2 t30 -70.89 -46.38 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.436 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -57.73 -35.22 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 476' ' ' TYR . 3.8 mm? -60.72 -45.76 93.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.429 ' HG2' HD11 ' A' ' 565' ' ' LEU . 9.0 mtpt -48.7 -44.73 38.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.888 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -61.08 -51.36 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.681 -179.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.463 ' CE1' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -65.19 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 109.959 179.744 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 69.3 t -70.79 -48.14 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -24.02 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.52 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -72.04 -42.1 66.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.46 -47.18 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.97 -41.26 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -64.22 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.346 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.76 -42.13 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.507 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.417 ' N ' HD11 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -58.34 -43.1 88.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.434 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -69.99 -28.5 65.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -72.23 -35.49 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.225 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 96.8 m -63.0 -38.08 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.226 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.407 ' CD2' ' CD2' ' A' ' 534' ' ' LEU . 0.3 OUTLIER -59.18 -51.89 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.764 179.538 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -52.64 -38.48 60.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -62.31 -38.38 89.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 530' ' ' VAL . 0.0 OUTLIER -61.86 -55.28 31.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.99 -37.65 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.337 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -62.87 -56.01 21.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.941 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 519' ' ' ASP . 7.6 p -60.56 -22.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -74.71 -26.33 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 74.0 mtm -89.63 -15.29 33.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 17.9 m -116.16 -47.1 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.698 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 515' ' ' VAL . 6.7 t0 -127.88 73.66 78.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.28 -34.22 93.93 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.613 2.209 . . . . 0.0 112.203 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -62.73 -55.82 23.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -28.66 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -54.36 -36.06 63.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.76 -29.35 63.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.682 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -75.58 -33.91 60.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 35.5 pt -79.1 -14.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.709 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.501 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -40.92 -47.85 3.04 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 33.4 m -74.71 -34.33 62.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.16 -49.23 37.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.679 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.505 ' HB ' ' CE1' ' A' ' 512' ' ' PHE . 41.2 t -60.84 -31.69 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.432 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.4 mmt -62.45 -44.5 96.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.524 ' HA ' ' CD ' ' A' ' 535' ' ' ARG . 7.6 t -65.51 -26.43 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.626 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . 0.402 ' N ' HG21 ' A' ' 532' ' ' THR . 0.1 OUTLIER -63.98 -40.17 95.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.394 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.88 -52.12 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.364 179.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.524 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 15.9 ptt180 -64.81 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.43 -35.38 74.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . 0.417 HD11 ' N ' ' A' ' 505' ' ' ARG . 0.5 OUTLIER -59.29 -54.13 38.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.136 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.62 -43.64 63.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.31 -52.77 63.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.941 0.401 . . . . 0.0 110.636 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -32.51 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.339 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' MET . . . . . 0.403 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 21.5 ttm -58.67 -35.29 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.329 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -70.24 -31.78 69.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.314 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -63.96 -34.4 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 4.1 t -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.444 ' O ' HD11 ' A' ' 548' ' ' LEU . 44.7 mt -58.17 -36.43 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 1.2 m -68.2 -37.75 81.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.97 0.414 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.69 -37.64 87.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.444 HD11 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -87.46 -31.34 20.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.992 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 545' ' ' LEU . 2.9 m-85 -56.64 -22.52 34.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.179 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -47.47 -29.21 2.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.7 t -104.31 78.64 0.35 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.008 178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.59 -30.82 9.28 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.693 2.262 . . . . 0.0 112.393 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.67 -54.17 17.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 89.7 t -74.94 -45.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.769 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -49.83 -31.47 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.26 -52.09 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.33 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.89 -46.48 90.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.958 0.408 . . . . 0.0 110.455 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -66.14 -38.33 81.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.428 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -59.09 -34.89 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.67 -55.92 19.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.26 -31.88 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.492 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.455 ' O ' ' HG ' ' A' ' 565' ' ' LEU . 4.4 t -65.77 -59.8 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.6 t0 -49.86 -34.84 21.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.369 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.515 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 2.0 mt-10 -71.2 -26.21 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.286 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 562' ' ' VAL . 0.5 OUTLIER -76.59 -32.59 58.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.799 -179.36 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -86.56 -16.57 36.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.515 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.8 mt-30 -54.64 -48.22 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.62 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.49 -29.37 61.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.946 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.79 0.329 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.1 -43.2 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.185 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.55 -44.39 65.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.962 0.411 . . . . 0.0 110.544 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.683 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.2 mmm -66.58 -47.22 73.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.603 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 2.5 mt -60.19 -30.73 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.603 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.28 -51.62 42.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -45.54 90.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -58.77 -29.28 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.81 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -84.6 -44.84 13.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -51.1 67.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.108 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.18 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.161 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -64.16 -43.6 94.66 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.152 0.501 . . . . 0.0 109.805 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.463 HD21 ' CE1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -65.95 -53.41 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.692 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -26.71 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.535 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -70.59 -50.14 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.443 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.442 ' CD2' HD22 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -68.42 -30.1 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.584 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 18.1 mm -64.54 -33.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 81.8 m -63.33 -46.2 87.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.831 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.95 -27.63 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 10.9 mt -60.29 -44.7 95.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.278 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 482' ' ' ALA . 7.7 mp0 -89.8 -11.86 40.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.477 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -28.53 -54.0 0.11 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 61.7 t 45.54 97.27 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.808 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.61 131.78 21.36 Favored 'Cis proline' 0 C--N 1.347 0.495 0 C-N-CA 123.714 -1.369 . . . . 0.0 111.989 -0.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 3.4 Cg_exo -79.45 159.34 25.77 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.474 2.116 . . . . 0.0 112.043 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.4 ' O ' HG11 ' A' ' 490' ' ' VAL . 1.7 mtp85 -116.54 76.65 7.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -48.11 -25.0 6.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.578 2.186 . . . . 0.0 112.603 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -26.26 23.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.219 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -87.28 -35.62 18.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.4 HG11 ' O ' ' A' ' 486' ' ' ARG . 3.3 m -64.23 -39.36 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.511 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.47 ' CD2' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.72 -30.23 60.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.112 179.396 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -68.55 -47.39 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.315 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.41 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.83 -39.99 72.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.721 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 476' ' ' TYR . 3.1 mm? -56.27 -47.38 78.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.442 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.402 ' CD ' HD13 ' A' ' 565' ' ' LEU . 11.0 mtpt -49.04 -46.17 43.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.737 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -52.7 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.436 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.463 ' CE1' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -60.54 -32.62 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.167 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . 0.446 HG22 ' CD2' ' A' ' 497' ' ' TYR . 89.1 t -73.59 -52.07 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.65 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -23.77 55.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.91 -40.39 63.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 0.9 OUTLIER -62.53 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.507 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -55.86 -42.64 76.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.48 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -60.59 -43.26 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.496 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.69 -41.58 83.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.309 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.405 ' HB2' HG23 ' A' ' 537' ' ' ILE . 7.6 ttt180 -58.68 -44.16 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.476 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -60.85 -27.74 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -33.86 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 11.2 m -59.09 -53.17 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 1.1 mm? -55.23 -50.8 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 514' ' ' HIS . 8.4 mtpp -60.48 -45.15 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -34.55 57.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.3 OUTLIER -70.91 -56.61 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.068 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.29 -36.62 84.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.782 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 510' ' ' LYS . 0.9 OUTLIER -63.88 -58.04 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.722 0.296 . . . . 0.0 110.795 -179.686 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.18 -23.59 33.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -77.97 -23.63 48.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 19.8 mtm -89.5 -16.0 31.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.199 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 22.8 m -115.48 -46.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.32 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.51 72.74 67.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.97 -31.99 84.35 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.624 2.216 . . . . 0.0 112.177 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.965 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.77 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.53 -28.96 63.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.843 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.0 -32.46 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 32.1 pt -81.71 -10.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.712 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.536 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.14 -51.49 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.621 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -36.56 76.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -74.28 -51.86 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.466 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 48.7 t -63.28 -31.76 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.45 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 1.2 mmt -68.37 -49.55 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 533' ' ' HIS . 1.0 OUTLIER -57.15 -32.58 66.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 532' ' ' THR . 10.8 t60 -64.69 -38.95 92.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.489 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.01 -48.17 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.59 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 531' ' ' MET . 27.7 mtp180 -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.418 HG13 ' CG ' ' A' ' 540' ' ' ARG . 35.5 t -59.92 -35.93 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.471 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . 0.405 HG23 ' HB2' ' A' ' 505' ' ' ARG . 0.5 OUTLIER -59.16 -55.34 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.316 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -39.05 57.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.255 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.16 -54.2 47.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.418 ' CG ' HG13 ' A' ' 536' ' ' VAL . 0.9 OUTLIER -56.45 -36.15 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 36.3 ttm -57.57 -34.22 68.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.482 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.55 -33.98 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 98.3 p -67.1 -42.97 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.744 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 67.1 mt -56.65 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.025 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.405 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 4.0 m -67.71 -34.23 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.09 0.472 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.72 -38.6 91.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.56 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.43 -32.59 19.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.034 179.667 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 3.6 m-85 -56.22 -22.23 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.318 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -47.74 -28.88 2.7 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.02 0.438 . . . . 0.0 110.265 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.2 t -105.32 77.9 0.39 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.099 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -47.66 -26.83 7.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.774 2.316 . . . . 0.0 112.49 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.14 -49.3 37.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.58 -43.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -51.52 -39.51 57.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.728 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.42 -42.86 64.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.421 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -67.11 -49.02 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.247 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.4 ' O ' ' HB ' ' A' ' 562' ' ' VAL . 2.2 pp -66.21 -35.53 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.398 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -62.29 -36.88 83.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.82 -53.43 57.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.684 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -74.54 -38.05 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 558' ' ' ILE . 7.8 t -64.54 -57.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.405 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -54.7 -28.05 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.39 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.489 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 28.2 mt-10 -77.73 -23.56 49.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.053 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 491' ' ' PHE . 0.4 OUTLIER -78.96 -35.42 43.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.578 -179.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.423 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.4 mp -86.93 -18.35 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.5 pt20 -58.96 -53.14 61.77 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.728 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.95 -26.05 21.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.566 179.782 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.845 0.355 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.34 -43.97 91.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -51.57 -44.45 62.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.473 . . . . 0.0 110.709 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.85 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 8.9 mmm -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.764 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 5.6 mt -65.05 -38.46 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.729 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.08 -39.15 93.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.699 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -50.32 70.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.675 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -57.76 -28.97 64.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.708 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -87.04 -39.07 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.755 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -48.41 71.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.259 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.24 -40.54 94.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -63.93 -38.42 91.01 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.457 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.7 OUTLIER -71.73 -53.08 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.418 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -61.32 -23.85 66.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.707 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -73.88 -48.37 31.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.339 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.3 OUTLIER -69.79 -28.91 66.13 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.517 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 16.5 mm -65.04 -33.89 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.188 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 96.8 m -58.12 -46.82 84.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.987 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.81 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.194 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 10.5 mt -59.78 -42.04 92.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.302 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -83.12 -13.48 55.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -34.91 -54.53 0.58 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 44.1 t 45.54 96.89 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.858 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -70.94 134.9 33.66 Favored 'Cis proline' 0 C--N 1.347 0.484 0 C-N-CA 123.7 -1.375 . . . . 0.0 112.07 -0.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.51 154.67 16.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.532 2.155 . . . . 0.0 112.397 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.442 ' O ' HG12 ' A' ' 490' ' ' VAL . 1.9 mmt85 -104.26 78.67 0.35 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.19 -22.87 5.92 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.796 2.33 . . . . 0.0 112.652 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -26.38 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 111.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.402 ' O ' ' CE ' ' A' ' 493' ' ' MET . 6.8 t-160 -86.5 -36.44 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 486' ' ' ARG . 4.5 m -64.28 -41.88 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.368 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.41 ' CD1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.29 -26.74 19.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.178 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.0 -43.14 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.27 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.469 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -64.34 -28.32 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 476' ' ' TYR . 2.7 mm? -71.71 -45.42 61.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -55.83 -31.28 62.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -84.92 -50.29 7.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.746 0.308 . . . . 0.0 110.273 179.188 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.457 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -52.03 -44.62 64.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.163 0.506 . . . . 0.0 109.761 179.108 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . 0.426 HG23 ' CD2' ' A' ' 497' ' ' TYR . 50.0 t -62.67 -42.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.378 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -27.99 57.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.12 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.571 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.98 -41.02 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.196 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -57.83 -40.14 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.444 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -65.65 -38.46 89.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.535 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -63.56 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.44 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.71 -32.0 73.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.413 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -36.66 83.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.533 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 96.1 m -58.33 -52.84 63.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.152 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -57.08 -52.1 66.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 110.204 179.083 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -58.34 -41.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.723 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.04 -39.16 63.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.478 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -60.0 -51.03 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.764 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -75.72 -31.69 59.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.721 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -60.52 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.703 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.38 -23.67 31.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -77.3 -23.41 51.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 33.2 mtm -88.4 -17.78 29.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.348 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 16.1 m -115.19 -44.46 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 111.351 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.76 73.38 75.33 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.85 -30.11 83.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.623 2.215 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -64.19 -57.47 9.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.021 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -27.74 56.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.768 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.41 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -52.53 -41.23 63.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.48 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -75.38 -32.02 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' A' ' 523' ' ' ALA . 33.2 pt -81.7 -9.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.478 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.38 -49.21 3.82 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.687 0.279 . . . . 0.0 111.564 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 2.6 m -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.84 -45.03 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.463 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.44 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 35.5 t -62.07 -32.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.6 mmt -68.31 -52.21 36.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 13.1 t -59.55 -30.7 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.852 0.358 . . . . 0.0 110.298 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -59.01 -43.56 91.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.234 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -63.76 -42.92 97.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.15 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -42.46 98.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.012 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.417 HG12 ' CG ' ' A' ' 540' ' ' ARG . 22.9 t -55.85 -37.58 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -54.66 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -42.08 54.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.58 -49.9 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.417 ' CG ' HG12 ' A' ' 536' ' ' VAL . 7.3 mmp_? -57.28 -38.58 74.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.526 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 18.3 ttm -55.51 -35.11 65.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.313 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -72.49 -30.59 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.607 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.3 -36.38 76.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 2.9 t -64.63 -41.19 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.578 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 52.9 mt -62.69 -34.98 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.2 m -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.5 -37.9 87.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.666 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.43 ' HB3' ' OH ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -87.57 -31.23 19.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.036 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 545' ' ' LEU . 1.4 m-85 -56.43 -22.48 32.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.204 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -47.58 -29.19 2.7 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.37 77.66 0.38 Allowed Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.965 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.89 -30.62 7.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 557' ' ' GLU . . . -68.29 -54.17 19.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 90.5 t -75.22 -45.55 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.414 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -50.06 -30.94 11.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.571 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -77.1 -52.26 9.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.593 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 1.6 mm-40 -61.43 -41.92 97.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.109 0.48 . . . . 0.0 110.609 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.406 ' O ' ' HB ' ' A' ' 562' ' ' VAL . 2.4 pp -70.77 -41.41 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.837 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -63.44 -37.13 86.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.715 0.293 . . . . 0.0 111.217 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -51.92 67.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . 0.404 ' HG3' ' CG ' ' A' ' 491' ' ' PHE . 4.7 pt-20 -79.35 -35.56 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.556 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.417 ' HA ' HD21 ' A' ' 565' ' ' LEU . 8.3 t -60.44 -52.87 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -39.74 91.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.515 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.4 mm-40 -68.99 -25.7 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.214 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 562' ' ' VAL . 0.0 OUTLIER -75.84 -35.41 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.529 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.02 -16.04 45.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.515 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 23.4 mt-30 -56.78 -48.94 76.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.703 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -60.28 -30.03 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.962 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.818 0.342 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 71.1 t -54.68 -41.93 58.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -51.54 -43.75 62.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 0.0 110.517 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.86 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 41.4 mtp -67.63 -44.01 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 4.6 mt -65.86 -26.61 67.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -76.41 -43.48 40.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.95 -54.74 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -57.81 -31.38 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.707 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.413 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 9.8 ttp-105 -80.91 -40.86 23.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -62.66 1.68 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.18 0.514 . . . . 0.0 109.991 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.7 pp -53.33 -34.16 56.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.773 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.31 95.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.962 0.41 . . . . 0.0 110.554 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' A' ' 497' ' ' TYR . 1.1 tm? -73.05 -43.07 62.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.106 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.92 -27.18 67.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.594 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -70.55 -46.68 63.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.474 ' CG ' HD23 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -65.24 -38.63 90.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.05 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 17.4 mm -56.15 -35.41 41.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.425 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.44 85.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.0 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.347 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 6.3 mt -62.75 -42.58 99.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.156 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -83.18 -13.26 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.445 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -37.2 -56.05 0.95 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.775 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 43.5 t 44.42 96.93 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.61 134.67 25.94 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 123.587 -1.422 . . . . 0.0 112.016 -0.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 87.4 Cg_endo -84.19 164.17 13.17 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.499 2.133 . . . . 0.0 112.422 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -112.76 78.35 2.81 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.064 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.82 -27.03 5.19 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.522 2.148 . . . . 0.0 112.513 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -25.72 26.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.381 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 13.5 t-160 -87.65 -36.91 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 3.6 m -65.45 -34.05 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.509 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.446 ' CD1' HD21 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.96 -26.4 67.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -68.15 -56.51 8.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -53.64 -30.54 43.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.923 0.392 . . . . 0.0 110.484 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.474 HD23 ' CG ' ' A' ' 476' ' ' TYR . 3.7 mm? -62.15 -53.7 51.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -55.05 -27.14 42.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.967 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.426 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 3.1 mmmt -74.39 -53.05 10.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.877 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.46 ' CD2' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -64.49 -33.6 76.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.639 179.373 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.03 -46.89 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.117 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -27.25 62.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.31 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.534 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.41 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 1.2 mt-10 -62.44 -49.12 76.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.163 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -56.6 -40.79 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.14 -31.96 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.53 -42.03 59.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.537 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -59.27 -53.71 55.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -27.31 69.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.385 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -40.95 74.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.375 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.404 HG21 ' CG1' ' A' ' 530' ' ' VAL . 56.9 m -60.91 -31.7 71.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -39.33 82.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.113 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.12 -41.27 71.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.459 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -51.2 -54.56 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.536 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.6 -40.05 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.586 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.49 -54.71 35.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.715 0.293 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 519' ' ' ASP . 8.9 p -60.74 -26.77 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.16 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 3.4 ttp180 -70.81 -26.44 63.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 111.025 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 44.4 mtm -89.78 -15.68 31.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.749 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 17.7 m -117.02 -47.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 515' ' ' VAL . 5.0 t0 -127.28 74.48 77.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.674 0.273 . . . . 0.0 111.55 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.02 -31.11 66.35 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -63.73 -57.72 9.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.017 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . 0.407 ' HD2' ' CG2' ' A' ' 515' ' ' VAL . 0.0 OUTLIER -73.83 -28.25 61.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -51.36 -40.72 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.417 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -71.35 -30.18 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.525 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -41.82 56.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.414 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' A' ' 523' ' ' ALA . 42.1 pt -71.83 -18.8 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.711 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.459 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 12.4 mtp85 -41.61 -51.54 3.96 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.664 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 39.6 m -60.38 -33.94 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.401 ' HA ' HG21 ' A' ' 532' ' ' THR . 0.5 OUTLIER -76.62 -40.73 48.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.238 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.404 ' CG1' HG21 ' A' ' 508' ' ' THR . 46.9 t -63.05 -33.17 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.082 0.468 . . . . 0.0 110.321 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.415 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 3.7 mmt -67.92 -54.83 15.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.488 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.401 HG21 ' HA ' ' A' ' 529' ' ' GLN . 14.8 t -57.85 -25.57 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.174 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -48.63 80.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.99 -44.67 96.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.338 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -61.79 -42.28 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.189 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.443 HG11 ' HG3' ' A' ' 540' ' ' ARG . 41.3 t -55.69 -37.3 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -57.73 -55.28 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -37.38 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.34 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.3 -59.16 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.443 ' HG3' HG11 ' A' ' 536' ' ' VAL . 52.3 mtt180 -54.05 -35.3 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 32.1 ttm -57.41 -34.97 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -71.27 -30.61 66.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.548 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -67.37 -42.01 84.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' SER . . . . . 0.431 ' HB2' HD23 ' A' ' 473' ' ' LEU . 5.0 p -61.79 -39.54 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 57.9 mt -63.33 -31.54 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 13.1 m -67.36 -35.24 78.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 22.9 mt -63.64 -39.36 94.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.607 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -85.77 -31.74 22.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.818 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 545' ' ' LEU . 3.3 m-85 -54.95 -24.0 21.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -48.01 -28.55 2.85 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-O 121.114 0.483 . . . . 0.0 110.057 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.4 t -105.6 76.8 0.36 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.945 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -46.86 -27.73 6.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.84 -48.49 58.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.117 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 79.0 t -82.98 -41.78 17.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.058 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -52.48 -36.04 54.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.03 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.48 -46.04 42.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.549 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -42.7 96.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -72.65 -39.01 60.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.815 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -62.18 -41.43 98.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.723 0.297 . . . . 0.0 111.186 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.99 -47.91 84.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.89 -33.79 45.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.695 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.539 ' HA ' HD21 ' A' ' 565' ' ' LEU . 2.5 t -63.28 -55.94 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.817 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 1.9 t70 -59.31 -36.01 74.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.51 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.521 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.5 mm-40 -69.4 -24.92 63.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -75.47 -32.08 60.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.881 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.1 mt -86.54 -19.22 29.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.521 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 5.9 mt-30 -59.4 -43.14 93.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -29.27 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.086 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.932 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.809 0.337 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.14 -42.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.63 -43.93 62.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.982 0.42 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.55 -31.35 72.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 28.6 mtp -65.78 -47.89 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.05 -39.71 79.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -64.61 -51.43 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.633 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -47.33 -45.7 24.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.981 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -32.28 71.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -81.02 -41.95 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.983 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -60.66 -60.83 3.18 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 109.858 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.15 -37.6 61.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.559 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.52 -42.83 77.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.134 0.492 . . . . 0.0 109.749 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.444 HD23 ' CD1' ' A' ' 497' ' ' TYR . 0.3 OUTLIER -65.13 -50.2 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -26.67 68.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.315 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -70.32 -49.71 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.261 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.459 ' OH ' ' HB3' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -70.32 -28.13 64.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.922 0.392 . . . . 0.0 110.232 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.592 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 19.0 mm -67.93 -33.08 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.207 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -61.7 -47.24 86.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -61.06 -30.15 70.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.244 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 9.5 mt -59.11 -47.21 86.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.312 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 482' ' ' ALA . 7.3 mp0 -88.03 -11.26 47.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -27.9 -51.74 0.07 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 72.5 t 46.69 97.43 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.18 134.78 37.19 Favored 'Cis proline' 0 C--N 1.349 0.581 0 C-N-CA 123.393 -1.503 . . . . 0.0 112.155 -0.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.38 139.81 10.53 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.401 2.067 . . . . 0.0 112.311 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 489' ' ' HIS . 7.5 mtt180 -101.47 83.71 0.47 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -47.87 -25.68 6.38 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.878 2.386 . . . . 0.0 112.463 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -27.81 24.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.332 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 486' ' ' ARG . 0.0 OUTLIER -87.65 -36.39 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.58 -36.03 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.205 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.482 ' CD1' HD21 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -58.22 -32.26 68.15 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 121.004 0.431 . . . . 0.0 109.983 179.176 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -66.49 -45.44 79.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.421 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.424 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -56.16 -35.88 67.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.476 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.419 HD11 ' CD2' ' A' ' 476' ' ' TYR . 3.4 mm? -58.69 -49.95 75.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.065 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.424 ' HG2' ' CD1' ' A' ' 565' ' ' LEU . 17.3 mtpt -47.07 -43.39 20.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -54.86 33.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.191 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.444 ' CD1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -59.65 -34.84 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.012 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . 0.403 HG23 ' CD2' ' A' ' 497' ' ' TYR . 77.2 t -69.77 -51.27 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.405 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -26.29 28.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.87 69.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.55 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.48 -44.1 97.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.133 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.4 -37.76 65.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.484 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -66.92 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.307 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.8 -41.73 97.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.421 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -60.43 -40.54 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.259 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.96 -31.31 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.301 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -70.36 -31.37 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.33 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 3.7 m -60.49 -48.98 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.2 -43.68 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.64 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -60.57 -38.7 85.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.629 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -36.24 77.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.492 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -57.62 -54.57 45.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.504 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.209 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.651 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 519' ' ' ASP . 12.7 p -60.57 -24.34 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.78 -23.31 58.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.5 mtp -87.34 -22.29 25.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.457 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.24 -41.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.51 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 515' ' ' VAL . 2.2 t0 -128.9 73.69 81.37 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.05 -31.77 83.76 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.69 2.26 . . . . 0.0 112.392 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -63.62 -56.69 13.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -27.4 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.416 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -53.14 -40.06 63.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.33 61.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.686 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -74.4 -30.29 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.678 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 523' ' ' ALA . 23.1 pt -82.41 -7.58 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.492 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -42.71 -45.45 4.74 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.849 0.357 . . . . 0.0 111.363 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 1.9 m -71.26 -29.71 65.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.6 OUTLIER -73.83 -44.87 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.17 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.439 ' HB ' ' CE2' ' A' ' 512' ' ' PHE . 10.0 t -58.16 -32.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.458 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.0 mmt -66.23 -56.21 12.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.416 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 12.9 t -55.1 -28.95 56.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.492 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 530' ' ' VAL . 4.8 m-70 -58.75 -47.78 83.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.184 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -62.58 -43.9 97.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 109.77 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -59.08 -41.86 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 540' ' ' ARG . 22.9 t -53.45 -40.97 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -54.08 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.555 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -73.97 -41.89 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -55.76 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.41 . . . . 0.0 110.714 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.461 ' HG3' HG13 ' A' ' 536' ' ' VAL . 37.0 mtt180 -56.45 -30.37 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 31.2 ttm -58.51 -37.3 75.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.162 0.506 . . . . 0.0 109.688 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.55 -36.88 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.967 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.85 80.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 8.3 p -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.204 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 548' ' ' LEU . 59.1 mt -56.57 -32.59 65.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.555 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.8 OUTLIER -68.14 -38.72 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.466 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 24.6 mt -62.1 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.483 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.459 ' HB3' ' OH ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -81.61 -31.61 32.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.589 179.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.446 ' HA ' ' CB ' ' A' ' 555' ' ' ALA . 2.0 m-85 -54.66 -23.82 18.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.124 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.38 -28.92 2.28 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.053 0.454 . . . . 0.0 110.099 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.46 77.8 0.33 Allowed Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.757 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.86 -31.94 8.66 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.829 2.352 . . . . 0.0 112.637 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.08 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.324 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 557' ' ' GLU . 86.5 t -77.01 -42.55 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.088 0.47 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -50.77 -33.63 24.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.698 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -78.61 -51.71 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.509 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 554' ' ' VAL . 16.5 pt-20 -61.39 -42.5 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.074 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.4 pp -72.62 -35.76 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.709 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.47 -41.88 97.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -50.41 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.669 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.8 -40.22 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.443 ' HA ' HD21 ' A' ' 565' ' ' LEU . 5.7 t -63.55 -53.42 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.722 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.73 -28.06 60.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.597 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.541 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 52.2 mm-40 -76.84 -23.99 52.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.482 HD21 ' CD1' ' A' ' 491' ' ' PHE . 0.4 OUTLIER -77.74 -38.49 46.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.592 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.479 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.5 mt -86.93 -23.17 25.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.541 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.0 OUTLIER -64.73 -58.34 6.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -52.64 -38.28 60.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.938 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.804 0.335 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.67 -43.13 90.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.22 -48.85 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 0.0 110.493 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.678 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.82 -42.49 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 30.7 mt -56.54 -38.89 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -62.77 -55.57 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.637 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -43.64 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.963 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -59.08 -32.56 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -81.28 -41.58 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -60.96 -59.9 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.217 0.532 . . . . 0.0 109.894 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.5 pp -55.92 -38.82 70.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.72 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.88 -40.98 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.189 0.519 . . . . 0.0 109.943 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 476' ' ' TYR . 0.2 OUTLIER -68.36 -53.47 23.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.874 178.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.53 -24.63 65.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.464 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . 0.411 ' HB3' ' HG2' ' A' ' 493' ' ' MET . 7.2 m-20 -70.77 -49.8 42.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 476' ' ' TYR . 0.6 OUTLIER -70.61 -29.93 66.45 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.051 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.526 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 20.7 mm -60.23 -33.89 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.875 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -66.76 -46.97 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.683 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.53 -26.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.087 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 13.6 mt -61.49 -49.14 77.97 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.216 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 482' ' ' ALA . 5.6 mp0 -84.0 -11.64 56.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -30.84 -50.66 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 61.8 t 46.04 95.23 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.662 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.09 133.17 30.1 Favored 'Cis proline' 0 C--N 1.349 0.564 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.202 -0.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.46 158.41 44.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.318 2.012 . . . . 0.0 112.342 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -113.01 80.68 4.16 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.032 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -48.2 -24.1 5.4 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.598 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.22 -26.49 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.098 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.422 ' O ' ' CE ' ' A' ' 493' ' ' MET . 16.9 t-160 -87.22 -36.13 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 3.5 m -65.4 -37.01 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.521 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -61.98 -26.71 68.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.281 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -68.76 -56.22 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.594 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.422 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -55.18 -27.7 47.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.618 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' A' ' 476' ' ' TYR . 4.0 mm? -64.76 -51.75 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.411 ' HB3' HD22 ' A' ' 565' ' ' LEU . 6.5 ptmt -56.71 -27.41 59.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.407 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.1 OUTLIER -74.25 -49.74 21.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.967 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 498' ' ' VAL . 0.0 OUTLIER -60.35 -42.62 96.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 179.632 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . 0.446 ' N ' ' CD1' ' A' ' 497' ' ' TYR . 60.0 t -60.11 -43.57 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.335 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.4 62.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -76.95 -51.28 11.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 502' ' ' GLN . 0.2 OUTLIER -57.89 -29.08 64.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.854 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.42 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 17.6 mt-30 -74.35 -37.55 63.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -64.78 -33.21 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.437 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.99 -50.45 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.503 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -45.72 88.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.334 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -64.51 -28.98 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.5 -34.61 65.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.305 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 88.6 m -60.58 -44.71 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.37 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -51.7 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -51.92 -39.22 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.887 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 516' ' ' ARG . 0.3 OUTLIER -54.12 -48.07 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.146 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.39 -36.54 66.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.49 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -59.7 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.562 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 519' ' ' ASP . 8.3 p -61.19 -24.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 5.8 tpt180 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.687 0.279 . . . . 0.0 111.081 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 56.2 mtm -82.56 -22.85 34.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.173 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -43.96 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.643 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 515' ' ' VAL . 0.3 OUTLIER -122.27 79.69 44.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.397 -179.447 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.47 -55.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.438 2.092 . . . . 0.0 112.002 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -57.59 -48.71 78.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.586 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . 0.417 ' CE ' ' CG2' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -58.83 -40.32 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.316 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.445 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -52.76 -33.83 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.78 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.38 -33.16 61.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.764 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -76.49 -31.44 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.445 HG12 ' HA ' ' A' ' 523' ' ' ALA . 11.3 pt -92.87 -15.82 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.223 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 19.8 m -50.65 -28.09 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.026 0.441 . . . . 0.0 110.247 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -82.97 -37.54 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.661 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.04 -32.61 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.08 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.439 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.7 mmt -65.41 -48.98 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.517 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.525 ' HA ' ' CD ' ' A' ' 535' ' ' ARG . 13.2 t -63.33 -25.27 68.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.306 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.197 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -67.21 -53.18 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.525 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 16.5 ptt180 -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 540' ' ' ARG . 2.4 t -65.51 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -49.09 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.352 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.19 -33.06 50.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.83 -54.77 25.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.103 0.477 . . . . 0.0 110.404 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.405 ' HG3' HG13 ' A' ' 536' ' ' VAL . 0.6 OUTLIER -58.01 -32.88 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.204 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 4.6 ttm -58.1 -36.25 72.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.83 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.42 -37.09 85.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.806 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -40.95 88.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.074 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 6.1 m -64.14 -43.42 95.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.589 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.89 -42.79 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -36.57 67.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 28.0 mt -58.75 -53.92 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.993 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -76.63 -28.96 56.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.431 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.426 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 1.6 m-85 -60.28 -19.77 56.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.407 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -47.67 -29.15 2.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.141 0.496 . . . . 0.0 110.155 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 76.76 0.34 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.736 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.93 -30.4 7.01 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.0 112.523 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.16 -54.06 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.68 -45.43 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.402 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -50.16 -33.52 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.67 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.69 -51.51 11.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.366 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.03 -42.59 94.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.729 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.72 -40.26 69.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.76 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -62.12 -44.36 96.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -48.21 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.064 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.17 -39.17 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.474 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.504 ' HA ' HD21 ' A' ' 565' ' ' LEU . 2.8 t -60.03 -50.68 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.4 t70 -58.58 -40.52 83.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.476 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 5.0 mm-40 -66.9 -24.55 66.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.442 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.37 -31.49 58.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 111.57 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.1 mp -84.17 -18.58 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 11.1 mm-40 -58.73 -52.24 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.645 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -91.23 -24.56 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.506 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.696 0.284 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 84.6 t -55.23 -43.32 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.103 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -51.97 -42.04 62.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.016 0.436 . . . . 0.0 110.667 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.853 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -37.83 88.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.689 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.415 HD12 ' CD2' ' A' ' 507' ' ' HIS . 1.2 mt -63.28 -43.59 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -62.58 -38.93 92.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.675 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -58.77 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -82.49 -40.47 21.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -62.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.5 pp -57.32 -36.97 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.537 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.38 84.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 110.046 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.446 HD22 ' CE2' ' A' ' 476' ' ' TYR . 1.2 tm? -72.9 -47.73 43.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.91 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.82 -28.09 69.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.363 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -70.15 -48.04 59.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.471 ' CD1' HD22 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -64.37 -37.44 87.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.166 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 17.4 mm -57.64 -34.76 48.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.278 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 75.2 m -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.902 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.139 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 7.1 mt -59.18 -41.99 89.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.234 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 482' ' ' ALA . 60.9 mm-40 -80.47 -13.27 59.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -31.89 -51.58 0.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 40.8 t 42.97 96.53 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.007 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.25 134.25 35.04 Favored 'Cis proline' 0 C--N 1.349 0.578 0 C-N-CA 123.425 -1.489 . . . . 0.0 112.231 -0.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.71 158.11 39.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.343 2.029 . . . . 0.0 112.425 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.441 ' O ' HG11 ' A' ' 490' ' ' VAL . 4.9 mmt85 -111.12 80.07 2.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . 0.419 ' HA ' HG23 ' A' ' 558' ' ' ILE . 79.8 Cg_exo -44.32 -26.97 1.8 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.694 2.263 . . . . 0.0 112.93 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -25.98 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.518 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.401 ' CD2' ' HE2' ' A' ' 493' ' ' MET . 21.5 t-160 -86.82 -38.06 17.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.441 HG11 ' O ' ' A' ' 486' ' ' ARG . 5.6 m -63.94 -35.82 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.44 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.454 ' CD2' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -54.22 -35.01 61.96 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.968 0.414 . . . . 0.0 110.0 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.448 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 36.0 t30 -67.19 -45.52 76.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.983 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.443 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -60.25 -47.63 85.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.089 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 476' ' ' TYR . 2.6 mm? -59.29 -48.81 80.24 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.407 ' CG ' HD12 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.06 -35.45 59.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.621 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 497' ' ' TYR . 0.0 OUTLIER -72.27 -47.11 52.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.11 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.468 ' N ' ' HG2' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -61.58 -42.34 98.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.693 179.235 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 85.2 t -59.09 -49.45 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.621 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.0 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.23 -49.22 24.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.775 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 502' ' ' GLN . 0.8 OUTLIER -58.57 -28.95 66.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 47.0 mt-30 -69.45 -41.22 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.272 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -60.43 -27.78 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.598 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.08 -44.72 45.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.403 ' N ' HD13 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -57.63 -51.06 71.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.541 179.699 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.77 -27.49 68.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.465 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . 0.415 ' CD2' HD12 ' A' ' 465' ' ' LEU . 0.3 OUTLIER -70.04 -32.77 71.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 179.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 51.4 m -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.527 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.9 mp -56.38 -37.2 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -45.43 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -64.92 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.665 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -54.27 -49.89 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.77 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -81.69 -37.2 27.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.985 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -64.23 -56.66 13.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.729 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 4.8 p -62.12 -30.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -24.16 64.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.5 OUTLIER -89.03 -48.51 7.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.067 0.461 . . . . 0.0 110.661 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' A' ' 517' ' ' MET . 22.3 m -76.2 -46.85 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.524 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -129.62 76.52 78.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.205 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.12 -33.29 91.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.611 2.207 . . . . 0.0 112.332 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -62.91 -55.89 22.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -30.36 65.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.447 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -53.57 -37.26 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.62 -29.83 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.101 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -80.57 -28.85 37.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.238 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.447 HG12 ' HA ' ' A' ' 523' ' ' ALA . 28.4 pt -87.87 -19.45 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.706 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.665 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.0 -51.87 3.21 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.784 0.326 . . . . 0.0 111.721 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -35.64 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.632 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.89 -41.8 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.015 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 512' ' ' PHE . 29.1 t -61.59 -32.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.17 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.41 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 1.3 mmt -62.34 -54.55 38.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 13.6 t -55.96 -26.27 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.395 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.92 -49.1 79.0 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.474 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -63.02 -40.08 96.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -62.08 -45.65 92.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.222 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.412 HG13 ' CG ' ' A' ' 540' ' ' ARG . 28.8 t -55.03 -34.3 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.651 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -59.59 -54.73 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 179.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -37.56 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.66 -54.58 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.412 ' CG ' HG13 ' A' ' 536' ' ' VAL . 3.3 mmm180 -54.62 -39.44 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.407 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 4.2 ttm -54.67 -35.05 63.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.211 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.55 -34.08 76.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.41 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -66.96 -44.81 79.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.519 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 1.4 m -59.92 -35.84 75.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.706 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.432 ' O ' HD11 ' A' ' 548' ' ' LEU . 44.8 mt -60.8 -53.93 51.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 21.5 p -49.85 -35.53 23.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 24.5 mt -61.99 -41.43 98.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.802 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -84.94 -30.99 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.429 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 2.6 m-85 -57.08 -22.28 38.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.242 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -47.66 -29.27 2.87 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.223 0.535 . . . . 0.0 110.027 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.37 77.02 0.35 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.79 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.47 -31.02 6.36 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.867 2.378 . . . . 0.0 112.469 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.88 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.016 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 93.6 t -74.45 -43.58 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.404 ' CB ' HD21 ' A' ' 548' ' ' LEU . . . -52.0 -31.55 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.87 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.12 -49.62 12.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 111.512 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.83 -49.65 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.151 0.501 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.424 ' O ' ' HB ' ' A' ' 562' ' ' VAL . 2.4 pp -63.36 -38.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.629 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -62.72 -38.08 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 111.203 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.22 -50.46 73.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.996 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.88 -38.08 28.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.713 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.425 ' HA ' HD22 ' A' ' 565' ' ' LEU . 8.2 t -62.95 -55.2 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.746 0.308 . . . . 0.0 110.754 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -59.06 -36.43 75.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.203 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.97 -24.86 64.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.105 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 566' ' ' LEU . 0.4 OUTLIER -73.6 -36.62 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.13 -179.126 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.468 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.8 mp -86.73 -16.22 37.07 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.533 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 13.4 mt-30 -54.93 -47.66 74.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -45.63 89.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.899 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.962 0.411 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.57 -42.84 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -51.7 -44.13 63.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.605 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.83 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -39.62 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.829 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.16 -37.63 88.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -63.28 -37.64 88.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -43.81 98.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -40.76 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.8 ttp-105 -79.06 -36.33 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -46.74 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.532 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 472' ' ' ALA . 0.8 OUTLIER -61.9 -36.91 82.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.38 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.402 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -64.7 -48.85 73.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.508 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.51 HD13 ' CZ ' ' A' ' 476' ' ' TYR . 0.1 OUTLIER -67.07 -41.42 86.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.935 179.327 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.19 -26.99 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.321 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -64.95 -51.41 61.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.967 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.51 ' CZ ' HD13 ' A' ' 473' ' ' LEU . 1.9 p90 -63.01 -33.97 76.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.967 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 22.6 mm -54.68 -34.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.109 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.3 m -68.06 -47.22 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.744 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -61.9 -27.17 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.07 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 14.4 mt -59.82 -49.13 78.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.226 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 482' ' ' ALA . 6.9 mp0 -80.37 -11.76 59.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.472 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -31.44 -50.69 0.18 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.985 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 47.8 t 44.29 96.22 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.819 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.95 134.3 34.41 Favored 'Cis proline' 0 C--N 1.348 0.549 0 C-N-CA 123.799 -1.334 . . . . 0.0 112.06 -0.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . 0.414 ' HA ' ' HB1' ' A' ' 482' ' ' ALA . 98.9 Cg_endo -79.4 158.01 25.76 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.392 2.061 . . . . 0.0 112.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.417 ' O ' HG12 ' A' ' 490' ' ' VAL . 4.4 mtt-85 -113.45 78.47 3.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.15 -24.82 6.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.507 2.138 . . . . 0.0 112.614 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 -26.67 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.332 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 7.3 t-160 -86.36 -37.54 18.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 486' ' ' ARG . 3.9 m -63.98 -36.0 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.32 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.501 ' CD2' HD21 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.26 -32.59 62.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.357 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.415 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 14.7 t30 -67.92 -54.85 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.351 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -56.18 -25.53 47.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 476' ' ' TYR . 3.9 mm? -67.18 -52.62 39.09 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -27.61 40.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.807 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -55.55 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.415 ' CE1' HG22 ' A' ' 498' ' ' VAL . 0.0 OUTLIER -53.85 -32.61 53.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.858 179.322 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . 0.446 ' O ' ' CG ' ' A' ' 501' ' ' GLU . 81.0 t -72.68 -46.3 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.075 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -25.96 40.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.83 -43.41 54.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.017 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 498' ' ' VAL . 1.2 pt-20 -62.49 -28.44 69.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.47 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.73 -55.17 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.299 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.53 -42.03 65.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 505' ' ' ARG . 9.4 ttp-105 -60.07 -55.29 35.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.395 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -28.2 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -33.59 72.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.088 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 82.9 m -58.21 -52.92 63.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.16 -41.31 96.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -64.26 -39.2 93.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.565 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.28 -35.36 69.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 110.477 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' A' ' 527' ' ' ARG . 0.3 OUTLIER -61.1 -54.69 41.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.484 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -70.97 -28.97 64.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.194 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -66.71 -60.87 2.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 519' ' ' ASP . 12.9 p -60.98 -21.32 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.98 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -77.74 -23.52 49.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.727 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 27.1 mtp -85.28 -22.37 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.85 -42.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 111.495 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 515' ' ' VAL . 17.7 m-20 -130.24 74.35 80.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.112 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.16 -39.2 71.06 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.596 2.197 . . . . 0.0 112.257 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -26.34 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.455 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -56.47 -37.89 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.54 62.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -76.06 -26.3 56.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.455 HG12 ' HA ' ' A' ' 523' ' ' ALA . 36.4 pt -86.18 -6.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.723 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.37 -47.68 3.59 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.841 0.353 . . . . 0.0 111.55 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 73.3 m -62.84 -32.73 74.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.761 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.0 OUTLIER -74.58 -47.55 31.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.358 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.443 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 42.3 t -63.79 -32.38 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.341 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.0 mmt -69.26 -50.12 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.617 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 11.6 t -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.869 0.366 . . . . 0.0 110.286 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -58.01 -40.63 81.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.112 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.52 -45.27 87.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.122 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 11.0 mtp85 -64.17 -36.26 83.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.432 HG12 ' CG ' ' A' ' 540' ' ' ARG . 42.0 t -59.44 -37.91 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.219 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.57 -53.3 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.272 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.46 -42.85 52.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.09 -52.19 66.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.432 ' CG ' HG12 ' A' ' 536' ' ' VAL . 4.2 mmt85 -56.85 -36.04 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.661 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 6.4 ttm -56.89 -35.5 69.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.005 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -33.04 73.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.295 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.81 -41.53 95.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.581 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.4 -38.16 83.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.532 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.421 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 42.8 mt -62.87 -33.03 74.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -41.43 81.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.03 -41.21 91.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.003 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.423 HD23 ' CB ' ' A' ' 555' ' ' ALA . 0.0 OUTLIER -85.64 -29.86 23.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.216 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 545' ' ' LEU . 1.3 m-85 -58.55 -20.98 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.394 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.54 -29.11 2.59 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.052 0.454 . . . . 0.0 110.156 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.3 t -104.56 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.043 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.37 -30.55 8.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.82 2.347 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -54.02 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 94.2 t -75.67 -45.51 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.423 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -49.62 -35.47 21.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.698 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.4 -52.02 13.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.409 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.023 0.44 . . . . 0.0 110.575 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.29 -36.42 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.726 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.48 -37.99 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -52.67 64.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.01 -36.3 64.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.366 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.449 ' HA ' HD21 ' A' ' 565' ' ' LEU . 3.4 t -64.67 -56.87 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.712 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.86 -27.68 60.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.442 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 44.8 mt-10 -79.87 -22.73 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.501 HD21 ' CD2' ' A' ' 491' ' ' PHE . 0.3 OUTLIER -82.07 -35.56 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.352 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.462 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.2 mp -87.02 -17.07 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.442 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pt20 -57.11 -52.15 66.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 110.74 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.31 -48.13 83.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.95 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.73 0.3 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.9 -42.16 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.21 -50.08 62.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.129 0.49 . . . . 0.0 110.437 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.77 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -41.21 77.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.816 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.05 -37.66 80.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.781 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.93 -39.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.25 -51.39 61.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 5.2 mtp85 -59.82 -27.96 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.53 -46.71 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.93 86.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 468' ' ' ARG . 0.9 OUTLIER -67.44 -38.7 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.08 -37.09 80.83 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.019 0.437 . . . . 0.0 110.335 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.41 HD23 ' CE2' ' A' ' 497' ' ' TYR . 0.5 OUTLIER -75.64 -46.32 32.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.801 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.98 -25.0 66.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.695 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -72.3 -45.95 57.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.488 ' CG ' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.2 -39.52 86.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.622 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 19.2 mm -56.26 -34.88 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -56.69 -46.79 80.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.93 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.76 -31.16 72.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.227 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 5.9 mt -61.61 -44.21 97.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.227 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -87.37 -13.36 43.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.447 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.6 -56.48 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.965 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 59.1 t 49.74 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.493 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.73 134.54 29.85 Favored 'Cis proline' 0 C--N 1.349 0.554 0 C-N-CA 123.565 -1.431 . . . . 0.0 112.08 -0.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.62 151.59 10.19 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.551 2.168 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.4 ' CB ' ' HB2' ' A' ' 489' ' ' HIS . 2.8 mtt-85 -103.13 80.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -49.38 -23.79 7.77 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.677 2.252 . . . . 0.0 112.401 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -28.07 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -87.39 -35.05 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.12 -36.58 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.397 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.476 ' CD1' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.76 -23.98 66.85 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.231 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 50.8 t30 -67.71 -58.96 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.1 -30.22 15.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 110.508 179.687 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.488 HD21 ' CG ' ' A' ' 476' ' ' TYR . 3.6 mm? -61.35 -53.24 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.426 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -57.56 -27.48 62.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.892 -179.799 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.426 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -75.53 -50.64 15.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.849 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.419 ' CE2' ' OE2' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -61.12 -31.75 71.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.85 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.23 -51.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.639 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -28.45 36.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.74 78.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.419 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 0.8 OUTLIER -66.8 -48.29 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -52.21 -34.23 44.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -75.39 -26.4 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.445 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.95 -42.41 48.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -36.27 79.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.183 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -62.04 -32.43 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.594 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -66.69 -38.93 87.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 94.5 m -55.93 -46.9 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.7 OUTLIER -58.39 -54.08 51.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.478 179.486 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.42 -38.29 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -57.39 -35.55 70.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.741 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.447 ' CZ ' ' HB ' ' A' ' 530' ' ' VAL . 0.2 OUTLIER -63.1 -56.51 16.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.876 179.785 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.25 -28.63 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.413 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -65.48 -60.24 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 12.3 p -61.32 -21.75 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.107 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -79.54 -23.24 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 21.6 mtp -83.39 -24.78 31.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.776 0.322 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.6 m -110.05 -41.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.89 75.67 71.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.83 -49.9 14.2 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.599 2.2 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -52.74 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -36.96 83.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.415 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.56 -32.6 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.189 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.33 54.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.197 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -80.32 -24.5 39.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 529' ' ' GLN . 23.7 pt -91.63 -11.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.831 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.443 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.9 OUTLIER -41.14 -48.76 3.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.772 0.32 . . . . 0.0 111.567 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -62.35 -33.45 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.721 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -75.51 -48.75 21.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.227 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.447 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 46.1 t -60.35 -32.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.17 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.412 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 4.6 mmt -67.37 -54.88 16.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 13.4 t -58.27 -32.89 68.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.45 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -58.71 -37.92 77.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.079 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -70.74 -43.52 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.283 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 531' ' ' MET . 2.0 mtp-105 -65.14 -37.22 86.72 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.574 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.486 HG13 ' HG3' ' A' ' 540' ' ' ARG . 5.9 t -57.75 -35.01 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.135 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -51.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.411 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -40.39 56.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.45 -53.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.486 ' HG3' HG13 ' A' ' 536' ' ' VAL . 5.6 mtm180 -57.96 -33.26 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 31.8 ttm -58.9 -35.28 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.055 0.455 . . . . 0.0 110.031 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.406 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.47 -39.55 94.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 9.7 t -62.34 -42.49 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.5 mt -63.25 -28.37 69.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.622 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 13.8 t -72.21 -34.05 68.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 0.0 110.494 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.37 -40.21 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.511 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.71 -31.94 22.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.13 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.433 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -55.96 -22.28 25.61 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.063 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -48.47 -28.85 3.56 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.3 t -106.3 75.15 0.35 Allowed Pre-proline 0 N--CA 1.454 -0.229 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.703 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.34 -28.92 4.15 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.8 2.334 . . . . 0.0 112.329 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.43 -54.07 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 69.2 t -74.16 -42.77 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.414 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -52.47 -36.12 54.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.599 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.89 -50.73 22.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.76 -44.44 96.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.85 -36.9 66.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.576 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -62.1 -45.25 94.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 111.161 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -46.39 85.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -78.57 -35.87 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.477 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.513 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.4 t -61.35 -53.86 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.773 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.7 t0 -58.95 -38.99 80.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.416 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.04 -32.09 59.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.556 -179.334 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.401 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.2 mt -86.78 -15.51 39.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 5.7 mm100 -54.92 -50.99 67.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.405 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -58.26 -36.68 73.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.877 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.065 0.46 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.03 -43.67 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.37 -44.73 65.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.524 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.7 71.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -39.1 83.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -31.37 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.54 -37.93 74.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -51.64 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -28.74 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.792 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -83.71 -50.39 8.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -45.28 93.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.29 -35.27 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.404 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.02 -45.63 70.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.482 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.509 HD12 ' CZ ' ' A' ' 476' ' ' TYR . 0.1 OUTLIER -68.19 -42.2 80.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.115 179.344 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.35 -27.65 69.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -65.08 -51.91 58.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.509 ' CZ ' HD12 ' A' ' 473' ' ' LEU . 2.0 p90 -62.74 -34.58 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.052 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 23.1 mm -54.58 -34.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.223 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.1 m -68.35 -47.34 67.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.573 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.49 -18.53 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.336 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 14.4 mt -68.88 -47.28 66.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.323 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 482' ' ' ALA . 7.8 mp0 -80.46 -12.62 59.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 485' ' ' PRO . . . -33.88 -51.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.755 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 41.1 t 43.47 94.7 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.88 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -71.42 134.01 30.72 Favored 'Cis proline' 0 C--N 1.347 0.448 0 C-N-CA 123.647 -1.397 . . . . 0.0 111.978 -0.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . 0.406 ' HA ' ' HB1' ' A' ' 482' ' ' ALA . 82.4 Cg_endo -77.98 170.19 19.26 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.378 2.052 . . . . 0.0 112.233 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.419 ' O ' HG11 ' A' ' 490' ' ' VAL . 17.3 mtt85 -116.35 73.14 5.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -46.21 -25.82 3.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.579 2.186 . . . . 0.0 112.682 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -27.11 24.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.352 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 8.8 t-160 -86.34 -36.23 19.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.501 0.667 . . . . 0.0 109.265 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 486' ' ' ARG . 4.4 m -65.71 -36.33 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.531 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -27.44 66.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 495' ' ' LYS . 0.6 OUTLIER -70.18 -55.89 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.313 179.456 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -54.83 -29.36 54.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 179.415 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 476' ' ' TYR . 3.9 mm? -63.92 -53.61 47.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.803 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.435 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 1.1 ptmt -53.88 -26.65 25.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.793 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.435 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -76.2 -54.32 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.101 179.214 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.408 ' CE2' ' OE2' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -56.72 -37.91 71.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.02 -47.51 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.464 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -26.13 61.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.677 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.8 -39.37 69.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.408 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 2.0 mt-10 -67.15 -42.97 83.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.391 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -55.04 -42.5 72.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.489 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -66.45 -46.81 75.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.08 -49.24 74.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.424 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -66.65 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.153 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -69.99 -31.9 69.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.162 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.409 ' CG2' ' CG1' ' A' ' 530' ' ' VAL . 67.1 m -61.04 -52.52 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.8 mp -56.88 -33.7 67.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -63.11 -45.76 90.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -32.77 71.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.712 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -58.73 -53.91 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.609 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.82 -37.77 64.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.12 -55.25 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.761 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.79 -24.81 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -74.75 -23.29 58.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 32.9 mtm -86.45 -23.76 25.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.366 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.84 -41.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -130.9 73.98 80.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -40.35 78.32 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.613 2.208 . . . . 0.0 112.172 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.34 -54.62 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . 0.411 ' HA ' ' HG3' ' A' ' 525' ' ' GLN . 0.0 OUTLIER -68.49 -28.02 66.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.03 70.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.36 57.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . 0.411 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 7.2 mt-30 -77.02 -27.25 54.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 529' ' ' GLN . 28.2 pt -84.16 -12.31 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.615 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.544 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.08 -43.97 2.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.821 0.344 . . . . 0.0 111.617 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -76.54 -30.94 57.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.0 OUTLIER -72.91 -46.83 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.529 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.432 ' HB ' ' CE1' ' A' ' 512' ' ' PHE . 60.2 t -63.27 -32.86 57.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.453 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 2.1 mmt -61.82 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.743 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.507 ' HA ' ' CD ' ' A' ' 535' ' ' ARG . 6.0 t -66.67 -25.29 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.399 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -40.36 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.07 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -66.27 -54.83 20.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.253 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.507 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 8.5 ptm180 -62.35 -30.57 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.68 -35.7 75.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.72 -49.87 81.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.232 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -78.05 -36.85 47.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.6 -56.27 17.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.925 0.393 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -57.06 -33.04 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.408 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 5.1 ttm -58.46 -35.44 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.009 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -69.47 -32.61 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.374 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -64.57 -43.1 94.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.94 -37.21 86.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.659 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.429 ' O ' HD12 ' A' ' 548' ' ' LEU . 92.1 mt -58.32 -37.83 75.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.5 t -64.89 -37.36 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.353 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.3 mt -59.5 -45.1 92.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.014 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -82.24 -28.89 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.318 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.411 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -59.61 -20.54 56.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -47.05 -29.12 1.97 Allowed 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.155 0.502 . . . . 0.0 109.978 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.28 75.12 0.35 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.673 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.78 -28.84 7.22 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.792 2.328 . . . . 0.0 112.364 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.23 48.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.81 -44.47 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.403 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -50.95 -31.28 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.57 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.05 -53.24 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.062 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.46 -45.26 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -64.8 -36.73 78.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -61.75 -36.68 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.7 -54.15 46.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.39 -35.55 65.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 18.0 t -64.62 -55.24 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.78 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.03 -28.06 64.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.64 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.1 mt-10 -80.78 -24.63 38.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -36.65 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.76 -21.57 26.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pp0? -67.6 -59.58 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -27.98 29.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.93 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.884 0.373 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.69 -42.25 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.54 -48.66 65.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.126 0.489 . . . . 0.0 110.616 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.792 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.9 -37.79 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.763 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.29 -34.52 78.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -70.0 -45.54 67.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -47.91 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -58.15 -30.73 66.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -83.89 -48.31 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.772 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -50.2 74.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.1 pp -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.648 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.418 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.23 -40.11 93.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.048 0.451 . . . . 0.0 110.173 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.494 HD21 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -71.18 -49.44 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.757 179.076 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.48 -26.0 68.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.422 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -70.4 -49.67 46.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.398 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.491 ' CG ' HD23 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -67.63 -32.49 73.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.212 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.555 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 14.9 mm -61.06 -33.44 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.974 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 80.2 m -60.42 -45.84 92.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.889 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.06 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.555 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 11.1 mt -58.57 -41.57 85.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.322 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -84.45 -13.46 52.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.359 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 485' ' ' PRO . . . -37.11 -55.72 0.94 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.91 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 46.8 t 48.06 96.31 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.642 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.75 134.73 32.58 Favored 'Cis proline' 0 C--N 1.348 0.504 0 C-N-CA 123.574 -1.427 . . . . 0.0 112.022 0.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 482' ' ' ALA . 88.2 Cg_endo -83.23 155.23 14.53 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.492 2.128 . . . . 0.0 112.368 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.44 ' O ' HG11 ' A' ' 490' ' ' VAL . 1.0 OUTLIER -103.25 79.54 0.32 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -49.83 -23.03 7.99 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.628 2.218 . . . . 0.0 112.21 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -87.89 -27.05 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.9 t-160 -86.54 -36.2 19.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.44 HG11 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.85 -37.71 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.486 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.476 ' CD1' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.29 -24.4 67.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.29 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 2.3 t30 -69.52 -54.51 13.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.647 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -54.83 -26.84 37.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 476' ' ' TYR . 4.0 mm? -68.02 -49.14 63.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.232 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 5.3 ptmt -57.39 -29.75 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.988 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -83.76 -47.84 10.73 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.117 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.494 ' CE1' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -55.03 -39.01 68.69 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . 0.41 HG21 ' CD2' ' A' ' 497' ' ' TYR . 59.5 t -63.95 -41.81 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.296 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.82 61.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.75 67.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.41 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.405 ' OE2' ' CE1' ' A' ' 497' ' ' TYR . 1.1 mt-10 -64.5 -48.32 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.026 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.53 -37.81 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.324 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.72 -33.3 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.109 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.65 -42.32 95.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.295 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -59.98 -42.22 93.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.205 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.51 -29.91 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.086 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.2 m -63.01 -44.27 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.43 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.0 mp -55.98 -37.95 69.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.771 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.58 -49.21 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.732 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -57.82 -38.32 75.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.439 ' CE1' ' HB ' ' A' ' 530' ' ' VAL . 0.0 OUTLIER -54.99 -51.39 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.549 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.71 -34.43 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.089 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -64.6 -58.51 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.414 ' CG1' ' CD1' ' A' ' 526' ' ' ILE . 14.6 p -60.48 -24.39 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.09 -23.39 54.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.1 mtm -84.84 -24.51 28.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.332 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -110.1 -41.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.427 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 515' ' ' VAL . 13.5 m-20 -126.91 80.26 71.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.72 -50.66 11.87 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.582 2.188 . . . . 0.0 112.359 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -51.49 69.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -40.57 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.802 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.23 -31.84 54.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.22 -30.27 57.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -74.64 -29.89 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.414 ' CD1' ' CG1' ' A' ' 515' ' ' VAL . 36.3 pt -85.33 -12.6 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.567 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.06 -44.06 2.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.788 0.328 . . . . 0.0 111.692 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -79.76 -30.08 40.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -45.76 37.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.556 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.439 ' HB ' ' CE1' ' A' ' 512' ' ' PHE . 63.8 t -62.79 -33.03 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.092 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.423 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 2.2 mmt -65.11 -52.86 52.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.448 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 12.1 t -58.56 -28.71 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -46.1 85.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.423 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -64.09 -44.69 91.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.114 0.483 . . . . 0.0 109.809 179.121 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -58.37 -39.75 80.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.955 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.416 HG13 ' HG3' ' A' ' 540' ' ' ARG . 42.5 t -55.72 -40.5 61.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.708 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -52.37 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.684 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -75.89 -40.34 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.301 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.49 -55.75 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.416 ' HG3' HG13 ' A' ' 536' ' ' VAL . 1.7 mtt180 -57.38 -30.09 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 35.6 ttm -60.32 -36.35 77.73 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -65.89 -35.04 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.878 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.91 -44.69 86.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.4 -39.15 75.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.083 179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 548' ' ' LEU . 40.0 mt -60.31 -28.56 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.591 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 0.3 OUTLIER -69.01 -39.04 79.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 110.404 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 25.2 mt -60.57 -48.18 82.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.363 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.46 ' HB3' ' OH ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -74.07 -31.51 62.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.45 179.175 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.451 ' HB3' ' HA ' ' A' ' 546' ' ' SER . 0.3 OUTLIER -54.53 -23.99 18.83 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.859 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -46.62 -29.2 1.73 Allowed 'General case' 0 C--N 1.339 0.109 0 CA-C-O 121.248 0.547 . . . . 0.0 109.561 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.1 t -107.23 74.5 0.4 Allowed Pre-proline 0 N--CA 1.456 -0.168 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.478 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.16 -29.08 3.89 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.749 2.299 . . . . 0.0 112.558 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.44 -50.9 41.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.966 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 70.9 t -77.76 -40.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.429 ' HA ' ' CD2' ' A' ' 548' ' ' LEU . . . -51.88 -34.09 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.795 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -77.97 -50.21 12.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.669 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -61.48 -40.25 93.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.38 -38.9 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.745 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -43.09 97.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 110.958 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.62 -47.27 84.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.025 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.04 -39.42 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.401 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.0 t -62.15 -54.77 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.767 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 1.8 m-20 -57.8 -35.22 70.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.386 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.49 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 63.9 mt-10 -71.39 -24.46 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.365 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 491' ' ' PHE . 0.3 OUTLIER -78.02 -32.89 51.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.837 -179.398 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.4 mt -86.82 -16.34 36.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.49 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 12.6 mt-30 -54.22 -45.96 72.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.928 0.394 . . . . 0.0 110.715 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -27.96 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.168 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.784 0.326 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.28 -43.51 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.22 -44.34 64.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.496 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.66 72.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.874 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -38.8 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.799 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.97 -36.52 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -72.89 -40.71 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.75 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.13 -51.97 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -57.3 -31.13 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -82.44 -45.98 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.737 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -52.21 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.223 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.79 -36.95 84.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.61 90.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.026 0.441 . . . . 0.0 110.386 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.427 HD22 ' CE2' ' A' ' 476' ' ' TYR . 1.2 tm? -72.6 -46.28 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.819 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -27.0 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.505 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -70.27 -47.85 59.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.472 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -64.99 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.978 0.418 . . . . 0.0 110.087 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 17.4 mm -57.4 -34.08 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.379 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 98.1 m -59.15 -46.64 87.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.01 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.25 -29.79 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.291 179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 7.2 mt -60.81 -42.72 98.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.172 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 482' ' ' ALA . 83.5 mm-40 -87.19 -13.13 44.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.468 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -32.15 -54.83 0.31 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 44.8 t 45.67 96.91 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.853 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 11.7 Cg_exo -71.12 132.35 23.86 Favored 'Cis proline' 0 C--N 1.349 0.567 0 C-N-CA 123.746 -1.356 . . . . 0.0 111.922 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 484' ' ' PRO . 4.1 Cg_exo -79.2 160.39 26.41 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.549 2.166 . . . . 0.0 112.185 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -112.58 81.08 3.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.97 -27.51 4.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.739 2.292 . . . . 0.0 112.981 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . 0.483 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -90.32 -21.08 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.479 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.483 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 10.1 t-160 -88.22 -37.77 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 491' ' ' PHE . 4.1 m -62.92 -44.31 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.67 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.478 ' CD1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.51 -28.57 55.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.914 0.388 . . . . 0.0 110.601 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -67.57 -51.21 53.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.742 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.472 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.64 -32.42 63.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 476' ' ' TYR . 2.8 mm? -61.81 -51.77 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 0.1 OUTLIER -55.68 -29.53 59.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.256 -179.525 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.426 ' CD ' ' HA ' ' A' ' 493' ' ' MET . 8.1 mtpt -74.28 -48.92 25.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.1 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -33.66 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.708 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.11 -50.64 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.41 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -28.15 20.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -44.21 90.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.209 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -58.94 -43.04 91.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.598 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.84 -39.2 88.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.49 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.75 -34.08 71.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.427 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -58.85 -39.18 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.482 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -63.85 -32.64 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.607 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -38.57 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.437 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 31.8 m -61.85 -39.1 90.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.443 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -39.73 73.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.34 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -72.6 -37.73 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -59.78 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -59.08 -53.43 58.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.56 -28.89 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.233 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -67.91 -61.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.655 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 519' ' ' ASP . 12.7 p -61.71 -21.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -28.49 62.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.878 0.371 . . . . 0.0 110.976 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' MET . . . . . 0.406 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.3 OUTLIER -79.36 -47.13 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . 0.406 ' N ' ' CG ' ' A' ' 517' ' ' MET . 13.7 m -79.52 -43.75 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.397 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 515' ' ' VAL . 14.4 m-20 -134.85 80.5 49.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.41 -53.17 5.02 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.343 2.029 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -58.6 -49.53 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -36.85 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -55.6 -31.67 62.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.96 -30.84 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -74.31 -27.0 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 25.6 pt -91.28 -11.99 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.653 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.486 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 13.9 mtp180 -41.17 -49.49 3.54 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.831 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.27 71.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -50.71 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.195 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 61.8 t -62.72 -30.81 50.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.094 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 1.7 mmt -69.17 -50.68 45.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 7.4 t -60.19 -31.73 70.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.527 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.97 -42.59 94.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.255 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.76 -44.05 97.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.032 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -61.19 -44.62 97.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.445 HG13 ' HG3' ' A' ' 540' ' ' ARG . 37.7 t -52.55 -40.32 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.691 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.47 -53.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.621 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -41.93 52.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.129 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -60.25 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.445 ' HG3' HG13 ' A' ' 536' ' ' VAL . 40.6 mtp85 -56.85 -36.78 70.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.73 -35.02 68.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.24 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.22 -31.11 68.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.85 -39.98 94.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 2.9 t -61.43 -42.96 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.368 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.43 ' O ' HD12 ' A' ' 548' ' ' LEU . 18.2 mt -68.44 -25.77 65.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.773 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 31.8 t -76.91 -39.82 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.122 0.487 . . . . 0.0 110.192 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.93 -36.26 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.382 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.434 ' CD2' ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.65 -29.67 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.008 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 546' ' ' SER . 0.0 OUTLIER -54.66 -24.15 20.49 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -46.79 -29.61 2.03 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.174 0.511 . . . . 0.0 109.923 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.1 t -104.83 77.13 0.32 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.792 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.69 -27.42 5.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.715 2.277 . . . . 0.0 112.405 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.74 -53.87 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 78.0 t -75.32 -42.64 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.664 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -51.63 -34.99 40.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.593 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.69 -50.94 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.06 -44.63 94.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 pp -69.86 -38.5 75.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -60.5 -41.56 94.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 111.147 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -50.33 74.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.67 -34.35 60.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.399 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.479 ' HA ' HD22 ' A' ' 565' ' ' LEU . 3.0 t -65.08 -56.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.66 -29.84 64.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 32.6 mt-10 -77.48 -23.2 50.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.212 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -80.83 -34.17 34.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.514 -179.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.427 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.5 mt -86.81 -17.67 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.458 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.7 pt20 -61.06 -52.98 62.65 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.139 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.94 -52.39 65.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.032 -179.727 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.661 0.267 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 71.3 t -56.54 -39.82 64.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -46.77 62.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 110.62 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.61 72.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.1 mtp -67.95 -42.84 80.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 29.4 mt -58.8 -40.4 83.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -65.24 -43.0 92.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.99 -48.36 80.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.709 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -58.04 -31.59 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -83.43 -46.16 12.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -50.75 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.87 -39.92 95.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.418 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.26 -39.59 92.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.087 0.47 . . . . 0.0 110.136 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 476' ' ' TYR . 0.2 OUTLIER -70.22 -52.75 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.652 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.82 -25.23 66.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.187 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . 0.401 ' HB3' ' HG2' ' A' ' 493' ' ' MET . 5.5 m-20 -68.49 -50.82 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.542 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.473 ' CZ ' HD12 ' A' ' 473' ' ' LEU . 0.7 OUTLIER -70.23 -33.77 72.06 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.935 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 20.4 mm -60.07 -33.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.894 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 77.2 m -67.11 -46.45 74.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.671 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.04 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.129 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 11.8 mt -59.68 -45.84 90.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 482' ' ' ALA . 7.8 mp0 -87.21 -11.73 48.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.578 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -29.22 -51.84 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 62.7 t 47.04 95.57 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.512 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.31 133.65 32.05 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.519 -1.45 . . . . 0.0 112.15 -0.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -77.65 156.98 31.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.327 2.018 . . . . 0.0 112.245 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -113.75 79.46 4.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.035 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.05 -28.59 14.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.45 2.1 . . . . 0.0 112.439 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -23.68 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 14.7 t-160 -87.75 -38.06 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 2.5 m -62.39 -36.36 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.712 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -58.39 -30.36 66.77 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.169 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.12 -45.92 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -59.29 -36.98 76.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.536 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 476' ' ' TYR . 4.0 mm? -58.2 -47.18 84.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.051 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.455 ' HG2' HD12 ' A' ' 565' ' ' LEU . 11.9 mtpt -49.34 -44.3 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.959 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 493' ' ' MET . 0.3 OUTLIER -64.07 -47.06 81.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.418 ' HB2' ' CB ' ' A' ' 472' ' ' ALA . 0.0 OUTLIER -66.74 -36.05 81.54 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 75.5 t -70.21 -48.58 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.287 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -24.36 65.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.286 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.13 -37.07 72.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.36 -47.78 82.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.016 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -54.99 -35.59 64.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -69.06 -24.81 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.441 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -78.73 -37.34 41.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.379 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -59.22 -54.83 42.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.056 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -29.24 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.984 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -68.47 -34.87 76.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.771 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 47.8 m -58.21 -42.44 86.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.163 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -56.08 -53.7 53.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 179.168 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -56.67 -37.41 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.36 -41.87 80.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -54.07 -50.12 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.302 179.216 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.13 -32.86 61.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -57.37 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 519' ' ' ASP . 11.8 p -62.32 -23.85 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.841 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.76 -23.26 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 13.3 mtm -83.2 -27.2 30.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.153 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 2.7 m -107.46 -39.82 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 515' ' ' VAL . 3.8 m-20 -128.17 70.39 78.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.99 -49.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.522 2.148 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -53.25 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.716 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . 0.402 ' CE ' ' CG2' ' A' ' 526' ' ' ILE . 0.2 OUTLIER -62.14 -36.33 81.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.07 -32.82 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.62 53.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.69 -24.99 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 529' ' ' GLN . 31.0 pt -88.81 -8.07 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.878 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.535 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.55 -45.05 3.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.5 m -71.78 -30.2 65.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -73.01 -44.79 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.428 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.464 HG11 ' CD2' ' A' ' 512' ' ' PHE . 11.7 t -58.6 -32.97 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.22 0.533 . . . . 0.0 110.427 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.405 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 5.9 mmt -63.34 -55.65 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.436 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 14.0 t -54.6 -26.43 32.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.278 179.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -50.79 72.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.196 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -59.61 -42.57 92.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.19 0.519 . . . . 0.0 109.945 179.144 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 -61.6 -41.1 96.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.042 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.438 HG12 ' CG ' ' A' ' 540' ' ' ARG . 39.5 t -56.66 -38.32 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.588 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -55.84 -53.06 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.19 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.15 -46.73 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.71 -48.86 76.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.634 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.438 ' CG ' HG12 ' A' ' 536' ' ' VAL . 30.4 mmt-85 -59.23 -32.48 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.4 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' MET . . . . . 0.407 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 27.4 ttm -57.44 -37.02 72.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.027 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -68.44 -33.74 74.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.229 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -41.41 96.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.532 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' SER . . . . . 0.406 ' CB ' ' OH ' ' A' ' 497' ' ' TYR . 4.2 t -60.16 -44.02 95.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.409 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.434 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 51.1 mt -56.38 -31.78 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 2.3 m -70.6 -43.28 69.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.452 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.9 mt -60.7 -38.5 85.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.8 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.417 ' CD1' ' C ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -86.16 -29.64 23.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.212 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 545' ' ' LEU . 1.0 OUTLIER -59.03 -20.82 56.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.746 0.308 . . . . 0.0 110.327 178.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -46.29 -29.64 1.72 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.962 0.41 . . . . 0.0 110.311 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.2 t -104.07 78.08 0.31 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.185 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -47.82 -27.39 8.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.608 2.205 . . . . 0.0 112.322 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.17 -49.49 43.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.56 -42.93 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -52.57 -36.15 55.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.93 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -37.92 59.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.372 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.67 -44.15 62.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.11 0.481 . . . . 0.0 110.145 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 pp -69.44 -35.59 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.2 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -60.37 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.367 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.55 -54.29 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.702 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.4 -35.8 71.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.289 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.432 ' HA ' HD21 ' A' ' 565' ' ' LEU . 3.1 t -63.69 -56.48 16.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.301 . . . . 0.0 110.348 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -50.87 -32.41 20.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.223 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.511 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 10.5 mt-10 -68.88 -26.58 65.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.237 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.455 HD12 ' HG2' ' A' ' 495' ' ' LYS . 0.5 OUTLIER -74.8 -38.42 62.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 111.527 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.31 -16.87 55.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.511 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 13.8 mt-30 -56.06 -48.98 75.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.632 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -84.03 -32.05 25.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.486 179.75 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 87.3 t -59.14 -43.88 90.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.73 -43.71 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.02 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.687 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 5.0 mmm -67.26 -43.58 81.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.36 -34.8 79.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.17 -30.67 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.32 -58.45 6.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -57.25 -30.26 64.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.676 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -50.08 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.655 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -60.32 3.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 0.0 110.246 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.19 -32.39 47.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.643 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.98 53.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.628 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.424 ' O ' ' CD2' ' A' ' 476' ' ' TYR . 0.1 OUTLIER -68.79 -38.55 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.975 179.365 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.23 -25.06 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -69.62 -51.24 36.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.19 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.474 ' CG ' HD21 ' A' ' 494' ' ' LEU . 0.4 OUTLIER -63.84 -36.65 84.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.11 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.564 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 15.2 mm -57.02 -34.28 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.332 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 83.8 m -66.99 -46.45 74.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -61.08 -27.81 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.189 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 10.8 mt -59.44 -50.95 71.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.408 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -80.79 -12.79 59.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.759 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.63 -52.51 0.68 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 44.8 t 45.72 96.76 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.751 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.31 134.49 28.82 Favored 'Cis proline' 0 C--N 1.348 0.525 0 C-N-CA 123.538 -1.443 . . . . 0.0 112.006 -0.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.49 155.13 9.18 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.524 2.149 . . . . 0.0 112.493 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -105.7 76.38 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.26 -23.91 24.9 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.645 2.23 . . . . 0.0 112.483 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.93 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.422 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.4 t-160 -87.95 -35.96 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.11 -34.96 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.502 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.519 ' CD2' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -60.65 -28.77 68.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.121 179.515 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 6.7 t30 -68.66 -55.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -52.01 -28.73 18.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.474 HD21 ' CG ' ' A' ' 476' ' ' TYR . 3.9 mm? -63.48 -54.57 34.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 11.9 ptmt -55.2 -26.18 37.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.005 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.456 ' CD1' HG21 ' A' ' 498' ' ' VAL . 0.0 OUTLIER -59.26 -27.88 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.923 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 497' ' ' TYR . 75.1 t -73.09 -55.44 12.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.287 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -28.16 9.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.958 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.52 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.791 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.33 -44.83 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.493 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -55.9 -43.15 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.74 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -59.02 -39.59 82.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.666 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -31.96 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -32.43 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 91.2 m -67.15 -31.9 72.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.588 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -40.04 79.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.202 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -59.55 -41.36 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -60.01 -42.52 94.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.481 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.97 -47.83 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.971 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -81.54 -39.33 24.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -63.53 -55.64 22.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 8.5 p -65.01 -28.49 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.264 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.53 -23.53 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 68.7 mtm -89.86 -15.35 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 21.8 m -116.37 -46.2 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 111.512 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -125.25 74.02 67.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.291 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.45 -31.66 88.19 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.645 2.23 . . . . 0.0 112.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.24 -57.08 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . 0.402 ' HA ' ' HG3' ' A' ' 525' ' ' GLN . 0.0 OUTLIER -75.05 -27.11 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -55.08 -39.6 69.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.406 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -72.52 -31.01 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . 0.402 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 6.8 mt-30 -76.23 -28.85 57.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 36.2 pt -85.43 -17.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.503 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 20.9 mtp180 -40.99 -52.37 3.14 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.666 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -36.06 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.896 0.379 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.58 -38.44 62.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.242 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.62 -34.51 61.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.442 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.425 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 9.8 mmt -64.28 -41.25 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.46 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.502 ' HA ' ' CD ' ' A' ' 535' ' ' ARG . 11.5 t -68.49 -26.21 65.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -39.85 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.425 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.52 -53.96 19.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.184 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 9.2 ptm180 -63.63 -29.53 70.76 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.235 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 532' ' ' THR . 2.5 t -64.25 -37.22 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.93 -53.16 49.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.99 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -46.29 53.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.658 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -56.3 -47.46 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -58.1 -33.21 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 21.5 ttm -58.25 -35.9 72.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.96 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -69.27 -31.85 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.305 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.28 -43.52 97.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.624 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 1.5 t -61.32 -39.23 89.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 548' ' ' LEU . 48.0 mt -61.1 -29.67 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.679 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.7 OUTLIER -70.95 -34.27 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 27.7 mt -62.84 -37.32 86.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.49 -33.12 19.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.047 179.483 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 3.3 m-85 -53.52 -23.99 12.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -48.05 -28.59 2.92 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.108 0.48 . . . . 0.0 110.061 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.16 76.41 0.31 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.899 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -47.48 -28.5 8.83 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.31 -48.55 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.3 t -82.92 -42.05 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' A' ' 548' ' ' LEU . . . -51.88 -36.24 47.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.108 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.77 -42.04 58.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.88 -42.86 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.115 0.483 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.401 HG12 HD22 ' A' ' 548' ' ' LEU . 2.3 pp -71.44 -36.17 59.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.749 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -63.71 -45.89 87.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.807 0.337 . . . . 0.0 111.133 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -44.67 85.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.84 -41.28 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 2.7 t -61.29 -53.76 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -34.84 70.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.507 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 30.7 mt-10 -70.29 -24.37 63.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.519 HD23 ' CD2' ' A' ' 491' ' ' PHE . 0.3 OUTLIER -75.95 -35.24 59.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.909 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.466 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.8 mp -86.7 -16.2 37.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.507 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 14.7 mt-30 -52.97 -47.1 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -77.66 -32.78 53.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.635 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.616 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 120.915 0.388 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.47 -45.06 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -51.97 -44.04 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.049 0.452 . . . . 0.0 110.498 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.5 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.648 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.1 mmm -67.26 -36.27 81.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.84 -45.28 86.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.767 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -62.53 -36.06 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.38 -48.46 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -57.07 -34.93 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -82.28 -45.12 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.668 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.89 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.17 -39.77 91.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.602 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.73 -40.52 92.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.037 0.446 . . . . 0.0 110.184 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.46 HD21 ' CE1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -70.07 -50.93 36.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.812 179.078 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -26.75 68.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.632 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -71.08 -49.11 48.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.383 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.491 ' CG ' HD22 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -69.62 -30.57 68.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.226 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 19.2 mm -63.48 -33.64 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.031 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 66.9 m -60.84 -45.22 95.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -66.42 -26.05 67.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 9.9 mt -64.45 -41.74 96.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.26 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -84.5 -13.93 50.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.701 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -36.89 -55.5 0.9 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 44.0 t 44.82 95.75 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.903 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.46 134.54 27.27 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.0 -0.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 85.1 Cg_endo -82.76 167.62 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.38 2.053 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 490' ' ' VAL . 29.3 mtt180 -112.11 78.11 2.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.29 -27.26 4.59 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.475 2.117 . . . . 0.0 112.721 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -88.4 -21.87 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.578 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.481 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 2.4 t-160 -88.14 -37.79 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 486' ' ' ARG . 5.9 m -64.27 -39.26 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.866 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.46 ' CD1' HD23 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.54 -27.3 69.16 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' A' ' 496' ' ' LYS . 11.8 t30 -65.26 -59.56 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.416 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.72 -29.67 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.943 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.491 HD22 ' CG ' ' A' ' 476' ' ' TYR . 3.9 mm? -62.3 -49.55 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 6.8 ptmt -60.46 -29.24 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.701 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -79.96 -44.52 20.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.031 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.46 ' CE1' HD21 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -62.73 -35.31 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.521 179.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 77.3 t -67.05 -47.85 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.398 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -26.06 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.611 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.87 -40.26 72.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.09 -42.78 99.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.1 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -57.41 -35.73 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.456 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.97 -38.44 88.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.16 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -73.76 -39.13 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.335 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -59.9 -54.35 47.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.244 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -61.26 -27.81 68.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.83 79.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.195 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.0 m -60.19 -48.2 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.097 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 1.0 OUTLIER -56.96 -52.13 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.496 179.29 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.24 -43.24 92.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.043 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -45.24 83.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.866 0.365 . . . . 0.0 110.76 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -56.87 -46.41 81.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.056 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -45.42 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.91 -52.0 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 519' ' ' ASP . 10.3 p -62.97 -24.21 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.206 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 12.4 ttm105 -76.36 -23.25 54.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 10.9 mtp -87.27 -21.4 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.407 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 14.2 m -114.14 -44.67 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 111.504 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 515' ' ' VAL . 1.2 m-20 -122.65 77.64 47.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.45 -55.29 2.22 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.92 -50.85 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.635 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -39.08 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.65 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.502 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -56.46 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.274 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.17 60.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -40.09 51.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.107 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.502 HG12 ' HA ' ' A' ' 523' ' ' ALA . 38.7 pt -71.92 -17.73 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.587 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.481 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 3.8 mtp180 -40.66 -45.68 2.42 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 57.8 m -73.14 -32.55 64.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.68 -50.19 11.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.432 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 512' ' ' PHE . 39.3 t -61.02 -31.18 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.2 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 10.6 mmt -68.46 -52.27 34.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 11.9 t -61.21 -32.85 72.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.987 0.422 . . . . 0.0 110.217 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -58.56 -39.47 80.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.312 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -48.57 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.189 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.46 -36.77 81.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.415 HG11 ' CG ' ' A' ' 540' ' ' ARG . 45.8 t -58.59 -39.74 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.364 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.76 -54.46 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.07 -43.28 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -58.99 -54.7 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.415 ' CG ' HG11 ' A' ' 536' ' ' VAL . 14.0 mmm180 -54.73 -37.5 65.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.688 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 7.7 ttm -56.08 -35.06 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -71.37 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.1 -41.44 74.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 5.5 m -60.41 -37.59 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 548' ' ' LEU . 96.6 mt -61.77 -53.86 50.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' SER . . . . . 0.431 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 m -50.36 -34.8 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.42 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 22.3 mt -62.51 -41.85 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.646 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.433 HD12 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -83.64 -31.74 26.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.431 ' HB2' ' HA ' ' A' ' 546' ' ' SER . 5.1 m-85 -55.95 -22.75 28.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.205 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -47.53 -29.46 2.82 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.105 0.479 . . . . 0.0 109.913 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 4.0 t -104.72 77.68 0.33 Allowed Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.914 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.32 -28.29 5.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.778 2.319 . . . . 0.0 112.467 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.87 -54.13 12.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.07 -43.21 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.403 ' CB ' HD23 ' A' ' 548' ' ' LEU . . . -51.55 -36.43 45.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.735 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.2 -50.13 20.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.505 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -71.52 -39.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.85 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -60.71 -41.96 96.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 111.309 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.47 -50.99 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.74 -33.75 62.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.561 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.465 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.6 t -63.18 -53.92 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.153 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.98 -34.87 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.9 0.381 . . . . 0.0 110.565 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.453 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.0 mm-40 -73.33 -24.61 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.376 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -80.0 -31.5 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.495 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.404 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.75 -17.01 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.453 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 22.6 mt-30 -49.88 -41.02 44.69 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.085 0.469 . . . . 0.0 110.569 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -32.4 50.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.897 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . 0.409 HG11 ' CE1' ' A' ' 507' ' ' HIS . 73.4 t -57.72 -42.34 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.13 -44.61 61.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.079 0.466 . . . . 0.0 110.674 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.17 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.771 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 30.1 mtp -64.98 -41.85 95.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.752 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.94 -32.24 73.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.28 -40.94 74.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -53.32 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -87.5 -37.95 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.806 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -48.83 58.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.61 -36.71 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.402 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.25 86.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 497' ' ' TYR . 0.5 OUTLIER -75.39 -45.54 38.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.928 179.148 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -28.13 68.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -71.03 -44.78 65.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.526 ' CG ' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.37 -37.82 83.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.97 0.414 . . . . 0.0 110.131 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 16.5 mm -57.32 -34.25 45.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.371 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.2 m -58.44 -46.67 86.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.982 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -63.76 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.31 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 7.2 mt -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.201 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -85.28 -13.14 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.42 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.54 -55.45 0.68 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.929 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 47.7 t 47.04 96.59 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.58 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.96 134.97 35.77 Favored 'Cis proline' 0 C--N 1.348 0.541 0 C-N-CA 123.425 -1.49 . . . . 0.0 112.296 0.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -82.09 152.81 16.5 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.591 2.194 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.419 ' O ' HG12 ' A' ' 490' ' ' VAL . 0.0 OUTLIER -102.57 81.18 0.36 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.808 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.29 -25.96 7.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.764 2.31 . . . . 0.0 112.305 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.54 -24.45 25.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.466 ' O ' ' CE ' ' A' ' 493' ' ' MET . 2.2 t-160 -87.5 -36.09 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.97 -36.84 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.858 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.427 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -62.18 -22.93 66.3 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.422 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 20.9 t30 -73.51 -53.96 9.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -55.75 -30.75 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.627 179.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.526 HD21 ' CG ' ' A' ' 476' ' ' TYR . 3.7 mm? -63.4 -50.18 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.412 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 10.0 ptmt -59.27 -30.62 68.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -73.67 -44.54 56.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.344 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.435 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -66.52 -33.47 75.76 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 85.2 t -66.01 -50.8 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.411 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -28.03 30.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.645 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.51 77.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.4 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -61.55 -45.55 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.588 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -54.56 -45.29 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.749 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -32.0 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.619 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.19 -44.28 76.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.414 ' N ' HD11 ' A' ' 537' ' ' ILE . 45.6 ttt180 -56.78 -48.77 77.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.668 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.43 -29.15 68.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.563 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . 0.409 ' CE1' HG11 ' A' ' 461' ' ' VAL . 0.1 OUTLIER -69.92 -40.86 75.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' A' ' 533' ' ' HIS . 2.3 m -58.1 -38.16 75.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.492 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -52.94 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.554 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -35.02 75.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -28.57 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.344 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.433 ' HB2' ' CG1' ' A' ' 530' ' ' VAL . 0.1 OUTLIER -84.65 -40.97 16.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 0.0 110.142 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -43.81 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.104 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.524 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.52 -22.97 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . 0.422 ' HA ' ' CB ' ' A' ' 523' ' ' ALA . 48.5 ttt180 -72.75 -24.07 60.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 5.1 mtp -87.73 -24.45 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.83 -41.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.675 0.274 . . . . 0.0 111.57 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.39 71.79 80.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.79 -23.07 74.37 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.193 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -64.47 -56.56 13.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.283 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -29.28 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.445 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.55 -37.14 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.9 -32.32 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -75.87 -28.84 58.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.445 HG12 ' HA ' ' A' ' 523' ' ' ALA . 38.0 pt -84.59 -9.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.677 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.77 -44.96 6.99 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 66.5 m -72.85 -30.74 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.36 -45.63 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.391 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.433 ' CG1' ' HB2' ' A' ' 512' ' ' PHE . 96.5 t -63.52 -33.98 64.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 0.0 110.136 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.418 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.0 mmt -61.15 -47.83 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.593 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 535' ' ' ARG . 11.9 t -64.57 -24.09 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.238 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . 0.446 ' HB3' ' CG2' ' A' ' 508' ' ' THR . 1.0 OUTLIER -62.81 -38.62 91.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -64.94 -57.72 8.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.172 0.51 . . . . 0.0 109.816 179.013 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 532' ' ' THR . 10.2 ptm180 -61.07 -29.17 69.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.136 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 2.5 t -66.2 -38.2 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.051 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . 0.414 HD11 ' N ' ' A' ' 505' ' ' ARG . 0.4 OUTLIER -55.93 -52.59 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.971 179.195 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.31 -46.44 41.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.81 -46.52 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.678 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -57.61 -40.26 78.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 14.7 ttm -53.21 -35.55 60.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.422 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -33.23 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -63.85 -36.73 84.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 10.2 t -65.65 -41.32 92.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.702 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 548' ' ' LEU . 27.7 mt -61.89 -28.35 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 24.7 p -71.62 -39.97 70.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.075 0.465 . . . . 0.0 110.528 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 21.9 mt -63.21 -35.77 81.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.467 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -86.94 -31.74 20.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.774 179.34 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.441 ' HA ' ' CB ' ' A' ' 555' ' ' ALA . 1.3 m-85 -55.99 -22.83 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.09 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -47.2 -29.49 2.38 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.105 0.479 . . . . 0.0 109.91 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.8 t -104.58 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.792 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.35 -27.62 5.05 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.836 2.358 . . . . 0.0 112.506 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.9 -54.01 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.0 -43.68 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.767 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -51.4 -37.85 50.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.763 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.97 -50.23 30.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.443 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.52 -44.74 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.37 -36.11 65.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.735 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -61.68 -43.98 97.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.817 0.342 . . . . 0.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.69 -48.38 81.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . 0.403 ' OE1' ' CD2' ' A' ' 491' ' ' PHE . 16.9 pt-20 -76.77 -38.07 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.515 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.536 ' HA ' HD21 ' A' ' 565' ' ' LEU . 2.8 t -62.43 -56.15 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.88 0.371 . . . . 0.0 110.651 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.37 -34.31 66.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.615 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.501 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 57.7 mt-10 -71.15 -23.73 62.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.323 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -79.29 -32.35 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.54 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.427 ' HG ' ' HG ' ' A' ' 565' ' ' LEU . 1.3 mt -86.54 -16.39 37.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.501 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 25.9 mt-30 -53.77 -46.33 70.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.951 0.405 . . . . 0.0 110.655 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -60.01 -51.73 68.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.97 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.942 0.401 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 73.9 t -55.46 -42.43 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -52.49 -44.61 65.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 110.552 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.91 71.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.77 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.6 mmm -68.29 -39.08 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 507' ' ' HIS . 11.7 mt -62.49 -33.78 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -74.7 -34.97 62.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -55.59 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -58.37 -27.14 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -85.64 -40.19 16.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -54.9 22.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.36 -35.83 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.274 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.18 98.64 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.042 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -69.25 -46.62 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.907 179.165 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -27.45 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.5 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -70.9 -48.56 53.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.247 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.456 ' CD1' HD22 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -65.72 -30.46 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 16.6 mm -64.99 -34.32 69.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.5 m -62.86 -46.8 86.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.919 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.72 70.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.1 mt -59.01 -46.52 88.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.377 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 482' ' ' ALA . 6.7 mp0 -85.93 -10.88 54.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.48 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -28.39 -51.6 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 52.7 t 43.27 97.49 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.886 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.41 134.54 34.62 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.753 -1.353 . . . . 0.0 112.052 -0.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -80.76 153.89 20.05 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.256 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.413 ' O ' HG12 ' A' ' 490' ' ' VAL . 15.6 mtt180 -112.72 79.67 3.38 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -45.87 -25.44 2.67 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.819 2.346 . . . . 0.0 112.985 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -27.18 22.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.72 0.295 . . . . 0.0 111.309 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.412 ' O ' ' CE ' ' A' ' 493' ' ' MET . 3.8 t-160 -86.53 -36.88 18.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 486' ' ' ARG . 4.0 m -63.6 -39.22 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.627 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -57.37 -28.89 63.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.887 0.375 . . . . 0.0 110.168 179.476 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.45 -45.25 69.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.419 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -58.14 -36.37 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.482 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 476' ' ' TYR . 3.5 mm? -58.64 -46.2 87.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 109.971 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.446 ' HG2' HD12 ' A' ' 565' ' ' LEU . 13.1 mtpt -49.48 -46.05 47.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.913 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -61.21 -48.84 79.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 -179.535 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.461 ' CD1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.91 -31.57 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 109.983 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.02 -46.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.617 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -24.53 61.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.48 -41.85 60.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . 0.407 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 1.8 mt-10 -60.08 -50.08 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -53.26 -40.71 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.459 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.752 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.456 ' CG ' HG23 ' A' ' 537' ' ' ILE . 22.4 mtm105 -58.42 -50.73 72.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 110.085 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -56.42 -26.75 54.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.602 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . 0.414 ' CG ' HD12 ' A' ' 465' ' ' LEU . 0.3 OUTLIER -79.25 -32.98 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.379 179.57 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.402 ' CG2' ' CG1' ' A' ' 530' ' ' VAL . 91.0 m -63.53 -53.4 52.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 8.7 mp -57.7 -38.6 75.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.642 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.61 -44.76 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.688 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -59.19 -44.75 92.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -51.42 -46.5 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -78.17 -44.89 24.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.318 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.7 -53.67 54.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 9.2 p -61.52 -29.01 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -68.37 -23.59 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' MET . . . . . 0.413 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 1.0 OUTLIER -87.02 -48.45 8.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 110.452 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . 0.413 ' N ' ' CG ' ' A' ' 517' ' ' MET . 18.9 m -77.05 -46.02 29.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.392 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -129.15 79.36 74.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -46.93 29.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.607 2.205 . . . . 0.0 112.377 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -59.69 -53.3 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . 0.417 ' HA ' ' HG3' ' A' ' 525' ' ' GLN . 0.0 OUTLIER -58.96 -39.31 81.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . 0.468 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.79 -32.95 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.53 -31.16 53.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . 0.417 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 5.4 mt-30 -75.81 -23.88 55.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.468 HG12 ' HA ' ' A' ' 523' ' ' ALA . 38.9 pt -88.39 -6.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.748 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -40.88 -45.61 2.56 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.841 0.353 . . . . 0.0 111.449 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -32.27 40.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.12 -46.3 65.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.402 ' CG1' ' CG2' ' A' ' 508' ' ' THR . 63.7 t -62.87 -35.18 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.273 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.409 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 11.2 mmt -63.26 -49.73 72.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.48 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 12.6 t -60.37 -25.31 65.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.051 0.453 . . . . 0.0 110.197 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -49.24 78.53 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.3 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.5 OUTLIER -60.4 -44.32 95.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.105 0.479 . . . . 0.0 110.178 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -40.63 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 17.6 t -55.84 -39.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.715 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . 0.456 HG23 ' CG ' ' A' ' 505' ' ' ARG . 0.9 OUTLIER -56.52 -56.47 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.83 -36.71 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.375 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.37 -53.96 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -57.74 -32.98 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.431 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 28.0 ttm -58.77 -35.35 72.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.169 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -71.32 -30.33 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.86 -35.33 80.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 32.8 t -68.1 -42.02 80.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.425 ' O ' HD13 ' A' ' 548' ' ' LEU . 16.7 mt -59.04 -31.74 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.59 -37.94 62.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.125 0.488 . . . . 0.0 110.363 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 17.5 mt -63.23 -35.69 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.322 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -87.56 -32.25 19.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.036 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 1.2 m-85 -55.77 -22.96 26.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.165 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -47.49 -29.0 2.44 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.095 0.474 . . . . 0.0 110.172 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.55 75.85 0.32 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.854 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -46.96 -28.29 6.94 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 556' ' ' GLU . . . -69.38 -48.06 62.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 88.4 t -83.36 -42.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.077 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.403 ' CB ' HD21 ' A' ' 548' ' ' LEU . . . -51.46 -36.38 43.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 17.6 pt-20 -74.4 -47.96 30.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.6 -46.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.46 . . . . 0.0 110.546 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.34 -36.57 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.612 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.39 -37.93 79.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 111.138 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -54.72 30.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.81 -31.96 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.409 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.46 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.7 t -65.23 -57.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.361 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -51.21 -33.58 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.0 110.193 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.428 ' HA ' ' CG ' ' A' ' 567' ' ' GLN . 13.4 mt-10 -67.18 -27.23 67.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.092 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.5 OUTLIER -73.92 -36.55 64.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.587 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 1.3 mp -82.18 -15.51 52.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.428 ' CG ' ' HA ' ' A' ' 564' ' ' GLU . 5.0 mm-40 -52.4 -46.71 66.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.149 0.499 . . . . 0.0 110.476 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.81 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.984 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.784 0.326 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 77.1 t -54.28 -41.0 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.38 -45.05 62.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.007 0.432 . . . . 0.0 110.284 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.82 73.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.558 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 17.0 mtp -71.93 -50.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.02 -34.43 63.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.445 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 470' ' ' ARG . 0.7 OUTLIER -59.22 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.267 179.396 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -53.95 -31.76 51.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -63.5 -35.79 81.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -80.21 -44.1 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.26 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 466' ' ' ASN . 4.0 mtt-85 -61.27 -53.67 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.362 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 472' ' ' ALA . 0.6 OUTLIER -60.48 -39.29 87.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.418 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -70.04 -35.82 74.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.39 . . . . 0.0 110.451 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.443 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.4 OUTLIER -74.89 -47.91 27.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.864 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.42 -26.78 68.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.555 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -70.15 -47.07 63.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' TYR . . . . . 0.473 ' CD1' HD23 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -69.07 -37.5 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.001 0.429 . . . . 0.0 109.934 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.578 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 20.0 mm -59.07 -33.51 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.305 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 87.4 m -61.4 -46.31 90.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -62.59 -29.27 70.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.216 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 9.2 mt -61.08 -50.9 71.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.363 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 482' ' ' ALA . 9.0 mp0 -87.15 -11.36 50.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -29.47 -51.38 0.11 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' VAL . . . . . . . . . . . . . 59.0 t 46.99 95.36 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.47 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.13 134.28 33.01 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.44 -1.483 . . . . 0.0 112.188 -0.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -83.19 157.03 14.94 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -114.65 79.88 5.94 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.04 -26.19 10.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.561 2.174 . . . . 0.0 112.645 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -22.53 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' HIS . . . . . 0.41 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.1 t-160 -87.75 -36.08 17.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 491' ' ' PHE . 2.6 m -63.93 -42.89 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.302 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' PHE . . . . . 0.454 ' CD1' HD21 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.42 -29.05 33.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.042 0.448 . . . . 0.0 110.224 179.339 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 52.1 t30 -68.3 -52.63 31.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.365 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' MET . . . . . 0.427 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -54.33 -30.17 50.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.682 179.605 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 476' ' ' TYR . 3.2 mm? -61.43 -52.63 63.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 12.3 ptmt -57.81 -26.77 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.103 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 499' ' ' ARG . 0.0 OUTLIER -76.18 -43.53 42.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 109.898 179.203 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . 0.443 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -68.92 -31.08 69.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.08 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.32 -53.08 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -54.71 -26.74 35.79 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.438 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.442 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.08 -49.41 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.42 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -54.73 -37.34 65.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -63.04 -35.45 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -68.94 -40.32 79.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -57.62 -44.8 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.96 -27.93 67.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.616 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -31.91 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.456 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' THR . . . . . 0.404 HG22 ' CG1' ' A' ' 530' ' ' VAL . 88.3 m -69.76 -36.45 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -40.5 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.208 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -57.09 -46.21 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.73 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.66 -51.58 47.76 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.221 0.534 . . . . 0.0 110.544 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.32 -34.52 48.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.183 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -58.17 6.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.688 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 519' ' ' ASP . 12.3 p -61.17 -26.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.44 -23.06 58.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 60.7 mtm -88.03 -20.0 26.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.578 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 15.5 m -114.78 -45.49 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.185 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 515' ' ' VAL . 0.4 OUTLIER -121.41 77.41 35.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.05 -53.25 5.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 112.234 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -60.07 -53.04 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -39.02 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.786 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' ALA . . . . . . . . . . . . . . . -53.93 -32.13 52.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' ALA . . . . . 0.414 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -76.55 -32.49 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -73.99 -24.83 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.037 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 34.0 pt -91.25 -18.24 7.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.679 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' ARG . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 3.5 mtp-105 -41.1 -53.61 3.02 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.722 0.296 . . . . 0.0 111.662 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -57.34 -36.73 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -43.52 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.309 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . 0.404 ' CG1' HG22 ' A' ' 508' ' ' THR . 21.7 t -60.28 -32.52 51.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.357 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' MET . . . . . 0.426 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 33.5 mmt -66.03 -56.72 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 14.0 t -55.34 -26.99 44.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.199 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -58.51 -50.44 73.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.399 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.18 -41.63 97.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.159 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -60.95 -42.71 98.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.181 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.408 HG13 ' CG ' ' A' ' 540' ' ' ARG . 48.1 t -55.25 -38.38 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.726 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.17 -54.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.504 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.8 -42.21 50.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.77 -50.24 74.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' ARG . . . . . 0.408 ' CG ' HG13 ' A' ' 536' ' ' VAL . 20.1 mmm180 -58.38 -34.83 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 25.0 ttm -57.15 -35.83 70.0 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.141 0.496 . . . . 0.0 110.158 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -70.01 -31.85 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.502 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 9.6 t -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.45 ' O ' HD12 ' A' ' 548' ' ' LEU . 19.3 mt -63.91 -28.05 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 4.7 m -77.02 -36.25 56.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.138 0.494 . . . . 0.0 110.102 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.54 -35.04 76.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.429 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -87.68 -31.14 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.857 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 548' ' ' LEU . 1.6 m-85 -54.41 -24.12 18.61 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -47.3 -28.94 2.19 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.42 76.71 0.28 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.723 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -47.27 -29.29 9.23 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.722 2.281 . . . . 0.0 112.532 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -50.4 46.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 99.2 t -79.77 -44.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.646 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' A' ' 549' ' ' TYR . . . -50.04 -33.88 19.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.454 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.93 -50.83 25.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.86 -46.28 90.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.5 pp -68.34 -36.39 74.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.601 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -59.13 -39.61 82.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.775 0.321 . . . . 0.0 111.124 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -54.9 32.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.87 -29.35 64.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.431 ' HA ' HD21 ' A' ' 565' ' ' LEU . 16.0 t -71.25 -47.69 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.47 -29.62 69.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.608 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mm-40 -79.88 -24.07 41.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -82.08 -36.22 27.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.9 mt -86.79 -23.35 25.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.8 OUTLIER -66.53 -59.37 3.7 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.8 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.3 65.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.969 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 465' ' ' LEU . 11.0 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.955 0.407 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -66.52 -32.51 73.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.59 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.66 -41.7 87.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.663 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 462' ' ' GLU . 1.5 mt -66.15 -34.31 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.675 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -65.03 -36.96 86.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.807 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -61.06 -53.13 61.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.404 ' HA ' HD21 ' A' ' 471' ' ' LEU . 15.5 mtp180 -55.0 -34.36 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 469' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 67.2 ttp85 -81.18 -38.68 26.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -62.62 1.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.558 . . . . 0.0 110.137 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 468' ' ' ARG . 2.2 pp -53.35 -37.1 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.834 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -63.93 -38.72 92.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.062 0.458 . . . . 0.0 110.255 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.494 HD23 ' CE2' ' A' ' 497' ' ' TYR . 1.1 tm? -72.44 -50.53 25.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.643 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -27.42 68.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.483 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -69.97 -48.88 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.621 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.49 -34.43 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.691 HD13 HD12 ' A' ' 480' ' ' LEU . 17.7 mm -60.51 -33.95 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.348 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -59.03 -46.36 88.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.956 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.699 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.4 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.18 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.4 mt -60.16 -42.99 96.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.349 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.705 ' O ' HG23 ' A' ' 483' ' ' VAL . 77.2 mm-40 -83.85 -13.3 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.512 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -36.11 -52.78 0.78 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.1 t 51.56 94.73 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.31 133.63 32.23 Favored 'Cis proline' 0 C--N 1.348 0.51 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.235 -0.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -78.95 150.39 23.43 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.354 2.036 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.828 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.3 OUTLIER -99.1 86.49 0.53 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.529 ' HA ' HG22 ' A' ' 490' ' ' VAL . 9.8 Cg_endo -51.96 -22.0 13.4 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.411 2.074 . . . . 0.0 112.256 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -27.83 23.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.277 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.429 ' O ' ' CE ' ' A' ' 493' ' ' MET . 13.7 t-160 -86.37 -36.56 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.828 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.8 m -65.58 -35.95 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.709 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.829 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -66.58 -25.92 66.86 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.124 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.414 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 6.8 t30 -66.06 -59.44 3.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.429 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.11 -31.04 17.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.606 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.823 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.7 mm? -61.02 -51.43 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.464 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 6.4 ptmt -59.26 -28.3 66.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.713 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.464 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 1.8 mmmt -77.75 -47.72 18.34 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.494 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -61.24 -36.96 81.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.833 179.344 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 494' ' ' LEU . 93.3 t -63.86 -51.02 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.637 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -25.79 41.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.639 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.14 35.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.857 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 498' ' ' VAL . 1.2 pt-20 -60.27 -28.37 68.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 11.2 mt-30 -65.89 -48.24 72.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.456 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.66 -33.24 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.493 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.11 -46.5 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.694 ' HA ' HD13 ' A' ' 537' ' ' ILE . 6.1 ttm180 -57.53 -50.02 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -62.8 -29.99 71.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.481 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.29 -32.96 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.432 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.435 HG21 ' HG ' ' A' ' 534' ' ' LEU . 33.5 m -64.1 -44.2 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 509' ' ' LEU . 9.1 mp -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.631 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -60.71 -36.97 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -35.41 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.534 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -57.09 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -32.79 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.373 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' HIS . . . . . 0.453 ' O ' HG22 ' A' ' 518' ' ' VAL . 51.8 t60 -61.77 -55.64 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.672 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 526' ' ' ILE . 8.6 p -63.06 -28.86 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' ARG . . . . . 0.404 ' HA ' ' CB ' ' A' ' 523' ' ' ALA . 10.5 ttt180 -69.46 -23.29 63.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.044 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 517' ' ' MET . . . . . 0.428 ' HG2' HG13 ' A' ' 518' ' ' VAL . 0.4 OUTLIER -88.64 -47.59 8.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 110.546 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 519' ' ' ASP . 23.4 m -79.4 -46.77 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.8 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 6.4 m-20 -127.29 74.29 77.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.1 -32.7 83.49 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.681 2.254 . . . . 0.0 112.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -56.97 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.067 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.59 -27.4 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.77 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -51.04 -41.76 60.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.738 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.71 -30.21 64.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.928 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -78.61 -33.16 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.005 HD11 HG11 ' A' ' 515' ' ' VAL . 1.4 pt -83.64 -12.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.69 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.534 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 8.2 mtp85 -42.61 -48.59 5.46 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 0.0 111.342 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.1 m -58.88 -32.66 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.813 ' O ' HG22 ' A' ' 532' ' ' THR . 0.8 OUTLIER -75.13 -47.48 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.293 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.628 ' CG2' HD12 ' A' ' 526' ' ' ILE . 60.3 t -61.24 -32.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.231 0.539 . . . . 0.0 109.969 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.668 ' HA ' HD12 ' A' ' 534' ' ' LEU . 0.4 OUTLIER -62.77 -53.98 46.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.476 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.3 t -55.34 -26.93 43.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.41 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.487 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -59.83 -49.59 77.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.124 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.58 -46.08 91.38 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.095 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -61.62 -40.12 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.062 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 532' ' ' THR . 24.6 t -57.83 -36.42 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.694 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.5 OUTLIER -57.94 -54.68 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 538' ' ' TYR . . . . . 0.415 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -76.69 -40.21 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.25 -49.73 76.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.476 ' CG ' HG13 ' A' ' 536' ' ' VAL . 18.7 mmt85 -58.6 -36.05 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.324 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.716 ' HE2' HG22 ' A' ' 498' ' ' VAL . 4.0 ttm -56.47 -35.0 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.299 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -70.49 -32.88 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.498 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.45 -41.96 88.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 m -60.43 -39.14 86.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 79.4 mt -61.48 -35.37 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.419 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 t -65.74 -36.97 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.4 mt -62.0 -44.97 95.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.528 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.934 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -79.93 -32.05 40.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.897 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.921 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.4 m-85 -54.28 -24.17 17.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.062 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -47.24 -29.12 2.21 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-O 121.07 0.462 . . . . 0.0 110.044 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.9 t -104.67 78.05 0.35 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.866 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -45.97 -29.82 6.5 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.762 2.308 . . . . 0.0 112.422 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 556' ' ' GLU . . . -69.99 -54.06 14.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.495 ' H ' HG12 ' A' ' 551' ' ' VAL . 78.2 t -75.06 -41.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.835 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.93 -34.61 56.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.998 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 553' ' ' ALA . 0.0 OUTLIER -80.56 -33.09 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.132 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.36 -42.99 58.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.478 . . . . 0.0 110.313 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -72.06 -36.85 58.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.502 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.429 ' N ' HD12 ' A' ' 558' ' ' ILE . 8.4 mm-40 -61.52 -41.55 97.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -48.51 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.12 -34.12 56.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.602 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.908 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.6 t -63.54 -54.54 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.946 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.3 t0 -59.43 -35.3 73.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.517 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.9 mt-10 -72.79 -25.01 61.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.329 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -78.85 -31.78 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.568 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.68 -16.72 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.517 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.6 mt-30 -52.53 -44.92 66.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.975 0.417 . . . . 0.0 110.604 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -60.7 -30.27 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.918 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 465' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.09 0.471 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.44 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 13.1 mmm -66.17 -42.96 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 507' ' ' HIS . 12.7 mt -60.83 -34.5 74.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -74.86 -38.22 62.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -62.11 -52.88 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.0 ptm85 -56.73 -34.2 67.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -79.83 -42.45 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -61.18 2.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 0.0 110.275 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.58 -36.96 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.953 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -66.22 -39.27 89.49 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.01 0.433 . . . . 0.0 110.344 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 473' ' ' LEU . 1.1 tm? -74.64 -44.77 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.37 -24.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.503 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -71.74 -47.56 52.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.533 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.11 -38.12 87.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 109.971 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 480' ' ' LEU . 17.3 mm -57.52 -33.66 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.347 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.0 m -60.37 -46.32 90.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.991 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.776 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -63.25 -30.54 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.271 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.6 mt -59.05 -42.54 90.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.292 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.649 ' O ' HG23 ' A' ' 483' ' ' VAL . 76.3 mm-40 -90.89 -13.33 33.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.511 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -34.16 -56.88 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.9 t 50.41 96.58 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.452 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.23 134.39 30.2 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.659 -1.392 . . . . 0.0 112.076 -0.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 98.4 Cg_endo -85.4 148.52 10.15 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.516 2.144 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.918 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.6 mmm180 -102.47 82.27 0.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.43 ' O ' HG22 ' A' ' 558' ' ' ILE . 8.8 Cg_endo -50.36 -23.48 10.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.618 2.212 . . . . 0.0 112.308 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -26.83 22.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -86.06 -36.73 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.768 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.7 m -63.23 -39.75 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.465 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.725 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -62.88 -24.69 67.94 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.349 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 49.4 t30 -66.98 -57.99 5.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -50.65 -30.93 14.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 0.0 110.772 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.823 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.6 mm? -62.05 -51.53 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.705 ' CB ' HD11 ' A' ' 565' ' ' LEU . 7.9 ptmt -58.76 -29.46 66.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.043 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -77.88 -42.67 32.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.102 179.381 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.42 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.27 -34.1 76.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.231 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 494' ' ' LEU . 95.3 t -65.62 -50.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -27.14 46.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.3 79.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.518 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.02 -45.87 90.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.309 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -53.41 -37.36 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.7 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -68.1 -32.58 72.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.28 -42.32 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.609 ' HG2' HD23 ' A' ' 534' ' ' LEU . 0.0 OUTLIER -60.24 -42.82 96.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.621 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.15 -29.0 70.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.443 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' HIS . . . . . 0.424 ' CD2' HD11 ' A' ' 465' ' ' LEU . 10.0 m80 -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.497 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.471 HG23 HG13 ' A' ' 530' ' ' VAL . 52.9 m -66.44 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.495 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -69.27 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.347 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.69 -39.37 91.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.836 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.3 OUTLIER -61.34 -49.35 77.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.716 ' HD1' HG21 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -52.5 -42.78 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.027 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.85 -44.03 51.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.07 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -61.57 -54.96 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.923 HG11 ' CD1' ' A' ' 526' ' ' ILE . 13.2 p -62.08 -22.52 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -78.04 -23.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 22.0 mtm -88.11 -19.73 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.291 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 519' ' ' ASP . 16.7 m -113.58 -45.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 518' ' ' VAL . 29.4 m-20 -121.78 78.89 39.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.38 -52.03 6.34 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.578 2.186 . . . . 0.0 112.314 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -58.7 -52.22 66.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.788 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -38.35 82.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.22 -31.27 61.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.026 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.56 59.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 526' ' ' ILE . 0.0 OUTLIER -73.66 -38.55 64.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.186 179.535 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.923 ' CD1' HG11 ' A' ' 515' ' ' VAL . 48.4 pt -74.7 -10.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.779 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -44.77 2.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 111.704 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 14.3 m -78.01 -30.83 50.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 532' ' ' THR . 1.3 tt0 -74.62 -46.71 36.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.454 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.716 HG21 ' HD1' ' A' ' 512' ' ' PHE . 47.3 t -65.59 -34.21 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.037 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.638 ' HA ' HD12 ' A' ' 534' ' ' LEU . 10.1 mmt -66.93 -51.25 57.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.488 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 536' ' ' VAL . 14.7 t -58.7 -26.94 64.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.906 0.384 . . . . 0.0 110.139 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.496 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -58.84 -50.71 72.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -60.2 -45.95 91.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.06 0.457 . . . . 0.0 110.339 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 531' ' ' MET . 9.1 mtp85 -61.14 -39.91 91.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.086 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 532' ' ' THR . 40.6 t -56.12 -40.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.52 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.7 OUTLIER -55.94 -54.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -76.1 -40.84 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.294 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.73 -54.29 47.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.638 ' HG3' HG13 ' A' ' 536' ' ' VAL . 36.9 mtp180 -56.02 -35.88 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.57 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.692 ' HE2' HG22 ' A' ' 498' ' ' VAL . 22.0 ttm -56.47 -35.69 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.204 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -69.21 -32.63 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.388 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -62.78 -38.45 90.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.56 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 547' ' ' LEU . 7.2 m -63.54 -43.08 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 46.2 mt -56.72 -33.84 66.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -68.42 -36.55 79.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.96 0.41 . . . . 0.0 110.645 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.9 mt -62.1 -40.36 95.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.935 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -84.97 -31.31 23.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.866 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.914 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.5 m-85 -55.19 -23.53 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.144 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -47.73 -28.89 2.69 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.112 0.482 . . . . 0.0 110.009 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.3 t -105.13 77.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.872 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.83 -29.41 5.72 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.868 2.378 . . . . 0.0 112.526 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.18 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.455 ' H ' HG12 ' A' ' 551' ' ' VAL . 84.2 t -74.85 -42.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.846 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.41 -35.79 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.547 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -73.15 -51.01 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.44 -46.53 88.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.6 pp -68.67 -37.47 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.557 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.466 ' N ' HD12 ' A' ' 558' ' ' ILE . 7.6 mm-40 -60.22 -35.3 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -66.28 -52.06 51.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.73 -30.85 61.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.599 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.4 t -64.09 -57.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.2 -34.35 66.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.489 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 38.2 mt-10 -71.91 -23.72 61.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 491' ' ' PHE . 0.1 OUTLIER -80.1 -32.48 39.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.464 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.451 ' HG ' ' HG ' ' A' ' 565' ' ' LEU . 2.2 mt -86.57 -15.81 38.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.489 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 21.0 mt-30 -51.64 -44.68 63.06 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.508 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.32 -32.26 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.85 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.879 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.014 0.435 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.12 71.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.617 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.2 mtp -64.76 -48.09 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.679 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.89 -33.26 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.478 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -52.13 58.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.657 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -55.41 -42.04 73.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.807 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 16.8 mtt-85 -59.42 -29.89 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -83.06 -42.17 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -61.73 -60.49 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.199 0.523 . . . . 0.0 109.875 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.409 HD12 ' OD1' ' A' ' 475' ' ' ASN . 1.3 pp -56.28 -36.3 68.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.613 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -67.35 -42.14 84.01 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -69.55 -47.14 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 179.27 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.14 -27.58 69.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.329 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' ASN . . . . . 0.409 ' OD1' HD12 ' A' ' 471' ' ' LEU . 1.3 m120 -69.81 -48.97 57.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -64.68 -35.62 81.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.853 0.358 . . . . 0.0 110.25 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.601 HD13 HD12 ' A' ' 480' ' ' LEU . 15.9 mm -60.21 -33.56 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.8 m -58.28 -47.01 84.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.069 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.596 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -63.08 -32.79 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.202 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.7 mt -58.73 -42.46 88.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.794 ' O ' HG23 ' A' ' 483' ' ' VAL . 82.2 mm-40 -87.86 -11.98 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.245 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -29.85 -53.47 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 481' ' ' GLN . 52.2 t 46.17 96.37 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.627 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.18 135.19 38.73 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.446 -1.481 . . . . 0.0 112.222 -0.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.9 153.18 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.502 2.135 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.783 ' O ' HG13 ' A' ' 490' ' ' VAL . 17.3 mtt85 -112.68 80.56 3.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.437 ' HA ' HG22 ' A' ' 490' ' ' VAL . 88.5 Cg_exo -46.35 -25.6 3.35 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.703 2.269 . . . . 0.0 112.801 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -25.79 23.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.407 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.0 OUTLIER -87.3 -35.5 18.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.694 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.8 m -64.2 -40.52 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.735 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -53.47 -29.61 36.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.003 0.43 . . . . 0.0 110.163 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 19.5 t-20 -70.89 -46.38 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.488 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -57.73 -35.22 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.8 mm? -60.72 -45.76 93.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.64 ' CD ' HD13 ' A' ' 565' ' ' LEU . 9.0 mtpt -48.7 -44.73 38.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.888 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -51.36 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.681 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -65.19 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 109.959 179.744 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 494' ' ' LEU . 69.3 t -70.79 -48.14 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -24.02 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.52 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -72.04 -42.1 66.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.46 -47.18 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.97 -41.26 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -64.22 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.346 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.76 -42.13 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.507 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.619 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -58.34 -43.1 88.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.434 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -69.99 -28.5 65.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -72.23 -35.49 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.225 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.53 HG23 HG13 ' A' ' 530' ' ' VAL . 96.8 m -63.0 -38.08 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.226 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -59.18 -51.89 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.764 179.538 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -52.64 -38.48 60.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.667 ' O ' HG12 ' A' ' 515' ' ' VAL . 4.6 m80 -62.31 -38.38 89.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -61.86 -55.28 31.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.99 -37.65 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.337 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' HIS . . . . . 0.409 ' O ' HG22 ' A' ' 518' ' ' VAL . 26.4 t60 -62.87 -56.01 21.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.052 HG11 HD11 ' A' ' 526' ' ' ILE . 7.6 p -60.56 -22.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -74.71 -26.33 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 74.0 mtm -89.63 -15.29 33.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 519' ' ' ASP . 17.9 m -116.16 -47.1 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.698 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.468 ' N ' HG23 ' A' ' 518' ' ' VAL . 6.7 t0 -127.88 73.66 78.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.28 -34.22 93.93 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.613 2.209 . . . . 0.0 112.203 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -62.73 -55.82 23.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -71.29 -28.66 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 526' ' ' ILE . . . -54.36 -36.06 63.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.76 -29.35 63.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.682 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -75.58 -33.91 60.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.052 HD11 HG11 ' A' ' 515' ' ' VAL . 35.5 pt -79.1 -14.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.709 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.519 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -40.92 -47.85 3.04 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 33.4 m -74.71 -34.33 62.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.878 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -72.16 -49.23 37.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.679 -179.625 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.53 HG13 HG23 ' A' ' 508' ' ' THR . 41.2 t -60.84 -31.69 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.681 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.4 mmt -62.45 -44.5 96.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 529' ' ' GLN . 7.6 t -65.51 -26.43 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.626 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.869 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -63.98 -40.17 95.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.394 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.88 -52.12 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.364 179.444 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 15.9 ptt180 -64.81 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -64.43 -35.38 74.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.869 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -59.29 -54.13 38.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.136 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 538' ' ' TYR . . . . . 0.407 ' N ' HG22 ' A' ' 537' ' ' ILE . 1.4 t80 -72.62 -43.64 63.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.31 -52.77 63.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.941 0.401 . . . . 0.0 110.636 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -32.51 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.339 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.414 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 21.5 ttm -58.67 -35.29 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.329 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -70.24 -31.78 69.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.314 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -63.96 -34.4 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.696 ' HA ' HD12 ' A' ' 547' ' ' LEU . 4.1 t -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 44.7 mt -58.17 -36.43 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 1.2 m -68.2 -37.75 81.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.97 0.414 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.8 mt -62.69 -37.64 87.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.927 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.46 -31.34 20.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.992 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.915 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.9 m-85 -56.64 -22.52 34.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.179 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -47.47 -29.21 2.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.7 t -104.31 78.64 0.35 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.008 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.59 -30.82 9.28 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.693 2.262 . . . . 0.0 112.393 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.67 -54.17 17.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 551' ' ' VAL . 89.7 t -74.94 -45.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.774 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -49.83 -31.47 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.26 -52.09 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.33 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.89 -46.48 90.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.958 0.408 . . . . 0.0 110.455 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.492 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -66.14 -38.33 81.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.428 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.492 ' N ' HD12 ' A' ' 558' ' ' ILE . 28.1 mm-40 -59.09 -34.89 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.67 -55.92 19.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.26 -31.88 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.492 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.922 ' HA ' HD23 ' A' ' 565' ' ' LEU . 4.4 t -65.77 -59.8 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.6 t0 -49.86 -34.84 21.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.369 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.538 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 2.0 mt-10 -71.2 -26.21 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.286 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.5 OUTLIER -76.59 -32.59 58.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.799 -179.36 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.3 mp -86.56 -16.57 36.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.538 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.8 mt-30 -54.64 -48.22 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.62 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.49 -29.37 61.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.946 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.653 ' HA ' HD12 ' A' ' 465' ' ' LEU . 5.3 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.962 0.411 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.683 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.2 mmm -66.58 -47.22 73.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.603 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 462' ' ' GLU . 2.5 mt -60.19 -30.73 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.603 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.28 -51.62 42.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -45.54 90.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 29.6 mtp180 -58.77 -29.28 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.81 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -84.6 -44.84 13.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -51.1 67.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.108 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.18 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.161 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -64.16 -43.6 94.66 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.152 0.501 . . . . 0.0 109.805 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -65.95 -53.41 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.692 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -26.71 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.535 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.59 -50.14 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.443 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.455 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -68.42 -30.1 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.619 HD13 HD12 ' A' ' 480' ' ' LEU . 18.1 mm -64.54 -33.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 81.8 m -63.33 -46.2 87.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.831 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.541 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -62.95 -27.63 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.739 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.9 mt -60.29 -44.7 95.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.278 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.791 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.7 mp0 -89.8 -11.86 40.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.477 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -28.53 -54.0 0.11 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.7 t 45.54 97.27 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.808 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 12.1 Cg_exo -70.61 131.78 21.36 Favored 'Cis proline' 0 C--N 1.347 0.495 0 C-N-CA 123.714 -1.369 . . . . 0.0 111.989 -0.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.449 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 3.4 Cg_exo -79.45 159.34 25.77 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.474 2.116 . . . . 0.0 112.043 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.834 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.7 mtp85 -116.54 76.65 7.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 490' ' ' VAL . 77.5 Cg_exo -48.11 -25.0 6.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.578 2.186 . . . . 0.0 112.603 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -26.26 23.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.219 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 489' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -87.28 -35.62 18.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.834 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.3 m -64.23 -39.36 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.511 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 491' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -30.23 60.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.112 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -68.55 -47.39 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.315 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.429 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.83 -39.99 72.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.721 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.1 mm? -56.27 -47.38 78.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.442 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.577 ' CD ' HD13 ' A' ' 565' ' ' LEU . 11.0 mtpt -49.04 -46.17 43.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.737 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -52.7 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.436 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.672 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -60.54 -32.62 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.167 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 494' ' ' LEU . 89.1 t -73.59 -52.07 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.65 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -23.77 55.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.91 -40.39 63.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 0.9 OUTLIER -62.53 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.507 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -55.86 -42.64 76.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.48 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -60.59 -43.26 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.496 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.69 -41.58 83.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.309 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.514 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.6 ttt180 -58.68 -44.16 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.476 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -60.85 -27.74 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -33.86 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.757 HG21 ' HB2' ' A' ' 534' ' ' LEU . 11.2 m -59.09 -53.17 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 509' ' ' LEU . 1.1 mm? -55.23 -50.8 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 514' ' ' HIS . 8.4 mtpp -60.48 -45.15 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.595 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.3 OUTLIER -53.26 -34.55 57.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.3 OUTLIER -70.91 -56.61 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.068 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.29 -36.62 84.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.782 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 518' ' ' VAL . 0.9 OUTLIER -63.88 -58.04 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.722 0.296 . . . . 0.0 110.795 -179.686 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.032 HG11 HD11 ' A' ' 526' ' ' ILE . 7.7 p -65.18 -23.59 33.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -77.97 -23.63 48.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 19.8 mtm -89.5 -16.0 31.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.199 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 519' ' ' ASP . 22.8 m -115.48 -46.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.32 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.4 m-20 -125.51 72.74 67.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.97 -31.99 84.35 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.624 2.216 . . . . 0.0 112.177 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.965 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.593 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.82 -27.77 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.53 -28.96 63.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.843 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.0 -32.46 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.032 HD11 HG11 ' A' ' 515' ' ' VAL . 32.1 pt -81.71 -10.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.712 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.545 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.14 -51.49 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.621 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -36.56 76.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 532' ' ' THR . 1.7 tt0 -74.28 -51.86 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.324 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 48.7 t -63.28 -31.76 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.462 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 1.2 mmt -68.37 -49.55 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 536' ' ' VAL . 1.0 OUTLIER -57.15 -32.58 66.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.69 ' O ' HD12 ' A' ' 537' ' ' ILE . 10.8 t60 -64.69 -38.95 92.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.489 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.757 ' HB2' HG21 ' A' ' 508' ' ' THR . 3.1 tm? -67.01 -48.17 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.59 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 531' ' ' MET . 27.7 mtp180 -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 532' ' ' THR . 35.5 t -59.92 -35.93 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.471 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -59.16 -55.34 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.316 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 538' ' ' TYR . . . . . 0.418 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.89 -39.05 57.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.255 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.16 -54.2 47.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.464 ' CG ' HG13 ' A' ' 536' ' ' VAL . 0.9 OUTLIER -56.45 -36.15 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 36.3 ttm -57.57 -34.22 68.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.482 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.55 -33.98 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.922 ' HA ' HD12 ' A' ' 547' ' ' LEU . 98.3 p -67.1 -42.97 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.744 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.445 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 67.1 mt -56.65 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.025 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 4.0 m -67.71 -34.23 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.09 0.472 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.922 HD12 ' HA ' ' A' ' 544' ' ' SER . 20.5 mt -63.72 -38.6 91.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.935 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.43 -32.59 19.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.034 179.667 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.935 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.6 m-85 -56.22 -22.23 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.318 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -47.74 -28.88 2.7 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.02 0.438 . . . . 0.0 110.265 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.2 t -105.32 77.9 0.39 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.099 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -47.66 -26.83 7.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.774 2.316 . . . . 0.0 112.49 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.14 -49.3 37.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.58 -43.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.871 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.52 -39.51 57.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.728 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.405 ' HG3' ' HG2' ' A' ' 557' ' ' GLU . 13.0 pt-20 -72.42 -42.86 64.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.421 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.405 ' HG2' ' HG3' ' A' ' 556' ' ' GLU . 1.2 mm-40 -67.11 -49.02 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.247 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.467 HG21 HG21 ' A' ' 490' ' ' VAL . 2.2 pp -66.21 -35.53 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.398 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -62.29 -36.88 83.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.82 -53.43 57.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.684 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -74.54 -38.05 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.902 ' HA ' HD23 ' A' ' 565' ' ' LEU . 7.8 t -64.54 -57.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.405 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -54.7 -28.05 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.39 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 28.2 mt-10 -77.73 -23.56 49.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.053 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.902 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -78.96 -35.42 43.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.578 -179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.4 mp -86.93 -18.35 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.5 pt20 -58.96 -53.14 61.77 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.728 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.95 -26.05 21.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.566 179.782 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 465' ' ' LEU . 1.1 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.092 0.473 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.85 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 8.9 mmm -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.764 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.773 HD13 ' OD1' ' A' ' 504' ' ' ASP . 5.6 mt -65.05 -38.46 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.08 -39.15 93.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.699 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -50.32 70.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.675 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -57.76 -28.97 64.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.708 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -87.04 -39.07 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.755 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -48.41 71.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.259 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.24 -40.54 94.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 497' ' ' TYR . . . -63.93 -38.42 91.01 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.678 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.7 OUTLIER -71.73 -53.08 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.418 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -61.32 -23.85 66.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.707 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -73.88 -48.37 31.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.339 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.3 OUTLIER -69.79 -28.91 66.13 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.825 HD13 HD12 ' A' ' 480' ' ' LEU . 16.5 mm -65.04 -33.89 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.188 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 96.8 m -58.12 -46.82 84.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.987 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.456 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.5 -31.81 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.194 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.5 mt -59.78 -42.04 92.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.302 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.619 ' O ' HG23 ' A' ' 483' ' ' VAL . 85.2 mm-40 -83.12 -13.48 55.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -34.91 -54.53 0.58 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.1 t 45.54 96.89 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.858 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 11.4 Cg_exo -70.94 134.9 33.66 Favored 'Cis proline' 0 C--N 1.347 0.484 0 C-N-CA 123.7 -1.375 . . . . 0.0 112.07 -0.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.51 154.67 16.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.532 2.155 . . . . 0.0 112.397 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.737 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.9 mmt85 -104.26 78.67 0.35 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.8 Cg_endo -49.19 -22.87 5.92 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.796 2.33 . . . . 0.0 112.652 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -26.38 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 111.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.402 ' O ' ' CE ' ' A' ' 493' ' ' MET . 6.8 t-160 -86.5 -36.44 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.5 m -64.28 -41.88 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.368 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.441 ' CD1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.29 -26.74 19.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.178 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -74.0 -43.14 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.27 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.492 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -64.34 -28.32 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 476' ' ' TYR . 2.7 mm? -71.71 -45.42 61.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.856 ' HB2' HD11 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.83 -31.28 62.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -84.92 -50.29 7.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.746 0.308 . . . . 0.0 110.273 179.188 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.678 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -52.03 -44.62 64.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.163 0.506 . . . . 0.0 109.761 179.108 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.556 HG11 HD22 ' A' ' 566' ' ' LEU . 50.0 t -62.67 -42.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.378 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -27.99 57.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.12 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.571 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.98 -41.02 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.196 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -57.83 -40.14 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.444 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -65.65 -38.46 89.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.535 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' ASP . . . . . 0.773 ' OD1' HD13 ' A' ' 465' ' ' LEU . 12.0 t0 -63.56 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.44 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.614 ' HG2' HD21 ' A' ' 534' ' ' LEU . 2.3 ttp180 -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.71 -32.0 73.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.413 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -36.66 83.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.533 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.584 HG21 ' HB2' ' A' ' 534' ' ' LEU . 96.1 m -58.33 -52.84 63.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.152 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -57.08 -52.1 66.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 110.204 179.083 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -58.34 -41.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.723 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.679 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.1 OUTLIER -53.04 -39.16 63.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.494 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -60.0 -51.03 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.764 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -75.72 -31.69 59.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.721 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -60.52 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.703 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.017 HG11 HD11 ' A' ' 526' ' ' ILE . 9.8 p -61.38 -23.67 31.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -77.3 -23.41 51.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 33.2 mtm -88.4 -17.78 29.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.348 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 519' ' ' ASP . 16.1 m -115.19 -44.46 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 111.351 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 5.1 t0 -126.76 73.38 75.33 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.85 -30.11 83.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.623 2.215 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -64.19 -57.47 9.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.021 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -76.4 -27.74 56.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.768 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -52.53 -41.23 63.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.48 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -75.38 -32.02 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.017 HD11 HG11 ' A' ' 515' ' ' VAL . 33.2 pt -81.7 -9.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.38 -49.21 3.82 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.687 0.279 . . . . 0.0 111.564 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 2.6 m -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.588 ' O ' HG22 ' A' ' 532' ' ' THR . 0.8 OUTLIER -75.84 -45.03 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.463 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 512' ' ' PHE . 35.5 t -62.07 -32.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.6 mmt -68.31 -52.21 36.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.1 t -59.55 -30.7 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.852 0.358 . . . . 0.0 110.298 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.508 ' O ' HD12 ' A' ' 537' ' ' ILE . 6.6 t-80 -59.01 -43.56 91.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.234 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.614 HD21 ' HG2' ' A' ' 505' ' ' ARG . 1.7 tm? -63.76 -42.92 97.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.15 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -42.46 98.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.012 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.45 HG13 ' CG ' ' A' ' 540' ' ' ARG . 22.9 t -55.85 -37.58 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.4 OUTLIER -56.25 -54.66 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 538' ' ' TYR . . . . . 0.44 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -75.43 -42.08 54.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.58 -49.9 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.45 ' CG ' HG13 ' A' ' 536' ' ' VAL . 7.3 mmp_? -57.28 -38.58 74.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.526 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 18.3 ttm -55.51 -35.11 65.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.313 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -72.49 -30.59 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.607 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.3 -36.38 76.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 t -64.63 -41.19 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.578 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 52.9 mt -62.69 -34.98 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.418 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.2 m -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 544' ' ' SER . 25.0 mt -62.5 -37.9 87.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.666 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.925 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.57 -31.23 19.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.036 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.925 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.4 m-85 -56.43 -22.48 32.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.204 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -47.58 -29.19 2.7 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.3 t -105.37 77.66 0.38 Allowed Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.965 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.89 -30.62 7.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 557' ' ' GLU . . . -68.29 -54.17 19.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 551' ' ' VAL . 90.5 t -75.22 -45.55 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.871 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.06 -30.94 11.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.571 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -77.1 -52.26 9.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.593 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 1.6 mm-40 -61.43 -41.92 97.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.109 0.48 . . . . 0.0 110.609 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -70.77 -41.41 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.837 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 18.3 mm100 -63.44 -37.13 86.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.715 0.293 . . . . 0.0 111.217 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -51.92 67.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' GLU . . . . . 0.406 ' HG3' ' CG ' ' A' ' 491' ' ' PHE . 4.7 pt-20 -79.35 -35.56 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.556 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.681 ' O ' HD12 ' A' ' 566' ' ' LEU . 8.3 t -60.44 -52.87 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -39.74 91.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.535 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.4 mm-40 -68.99 -25.7 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.214 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -75.84 -35.41 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.529 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mt -84.02 -16.04 45.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.535 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 23.4 mt-30 -56.78 -48.94 76.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.703 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -60.28 -30.03 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.962 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.512 ' HA ' HD12 ' A' ' 465' ' ' LEU . 4.4 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.968 0.413 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.86 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 41.4 mtp -67.63 -44.01 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 462' ' ' GLU . 4.6 mt -65.86 -26.61 67.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -76.41 -43.48 40.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.95 -54.74 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.402 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 5.3 ptm180 -57.81 -31.38 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.707 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 469' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 9.8 ttp-105 -80.91 -40.86 23.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -62.66 1.68 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.18 0.514 . . . . 0.0 109.991 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 468' ' ' ARG . 1.7 pp -53.33 -34.16 56.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.773 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 497' ' ' TYR . . . -64.85 -41.31 95.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.962 0.41 . . . . 0.0 110.554 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 497' ' ' TYR . 1.1 tm? -73.05 -43.07 62.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.106 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.92 -27.18 67.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.594 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -70.55 -46.68 63.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.534 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -65.24 -38.63 90.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.05 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.595 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -56.15 -35.41 41.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.425 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.44 85.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.665 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -65.83 -29.0 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.347 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.862 HD11 ' HB2' ' A' ' 548' ' ' LEU . 6.3 mt -62.75 -42.58 99.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.156 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 483' ' ' VAL . 66.0 mm-40 -83.18 -13.26 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.445 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -37.2 -56.05 0.95 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.775 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 481' ' ' GLN . 43.5 t 44.42 96.93 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.61 134.67 25.94 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 123.587 -1.422 . . . . 0.0 112.016 -0.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.455 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 87.4 Cg_endo -84.19 164.17 13.17 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.499 2.133 . . . . 0.0 112.422 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.722 ' O ' HG13 ' A' ' 490' ' ' VAL . 6.4 mtt85 -112.76 78.35 2.81 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.494 ' HA ' HG22 ' A' ' 490' ' ' VAL . 84.5 Cg_exo -46.82 -27.03 5.19 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.522 2.148 . . . . 0.0 112.513 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 488' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -85.54 -25.72 26.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.381 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.8 OUTLIER -87.65 -36.91 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.017 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.818 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.6 m -65.45 -34.05 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.509 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.756 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.96 -26.4 67.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 3.9 t30 -68.15 -56.51 8.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.46 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -53.64 -30.54 43.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.923 0.392 . . . . 0.0 110.484 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.818 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.7 mm? -62.15 -53.7 51.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.441 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -55.05 -27.14 42.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.967 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.441 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 3.1 mmmt -74.39 -53.05 10.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.877 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.47 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -64.49 -33.6 76.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.639 179.373 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 494' ' ' LEU . 58.9 t -67.03 -46.89 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.117 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -27.25 62.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.31 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.534 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 469' ' ' ARG . 1.2 mt-10 -62.44 -49.12 76.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.163 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -56.6 -40.79 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.14 -31.96 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.53 -42.03 59.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.537 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.668 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.2 ttt-85 -59.27 -53.71 55.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -27.31 69.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.385 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 510' ' ' LYS . 0.1 OUTLIER -70.17 -40.95 74.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.375 179.568 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.544 ' CG2' HG13 ' A' ' 530' ' ' VAL . 56.9 m -60.91 -31.7 71.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -68.22 -39.33 82.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.113 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 507' ' ' HIS . 7.0 mmmt -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.765 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.8 OUTLIER -55.12 -41.27 71.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -51.2 -54.56 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.536 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.6 -40.05 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.586 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' HIS . . . . . 0.436 ' O ' HG22 ' A' ' 518' ' ' VAL . 3.0 t60 -62.49 -54.71 35.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.715 0.293 . . . . 0.0 110.886 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 526' ' ' ILE . 8.9 p -60.74 -26.77 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.16 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 3.4 ttp180 -70.81 -26.44 63.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 111.025 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 44.4 mtm -89.78 -15.68 31.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.749 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 519' ' ' ASP . 17.7 m -117.02 -47.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 5.0 t0 -127.28 74.48 77.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.674 0.273 . . . . 0.0 111.55 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.02 -31.11 66.35 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -63.73 -57.72 9.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.017 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.664 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -73.83 -28.25 61.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -51.36 -40.72 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.431 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -71.35 -30.18 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.525 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -41.82 56.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.414 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.054 HD11 HG11 ' A' ' 515' ' ' VAL . 42.1 pt -71.83 -18.8 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.711 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 12.4 mtp85 -41.61 -51.54 3.96 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.664 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 39.6 m -60.38 -33.94 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.51 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -76.62 -40.73 48.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.238 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.544 HG13 ' CG2' ' A' ' 508' ' ' THR . 46.9 t -63.05 -33.17 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.082 0.468 . . . . 0.0 110.321 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.626 ' HA ' HD12 ' A' ' 534' ' ' LEU . 3.7 mmt -67.92 -54.83 15.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.488 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 536' ' ' VAL . 14.8 t -57.85 -25.57 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.174 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.6 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -60.54 -48.63 80.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.553 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.99 -44.67 96.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.338 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -61.79 -42.28 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.189 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 532' ' ' THR . 41.3 t -55.69 -37.3 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -57.73 -55.28 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -37.38 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.34 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.3 -59.16 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.658 ' HG3' HG13 ' A' ' 536' ' ' VAL . 52.3 mtt180 -54.05 -35.3 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.53 ' HE1' HG13 ' A' ' 498' ' ' VAL . 32.1 ttm -57.41 -34.97 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -71.27 -30.61 66.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.548 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -67.37 -42.01 84.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 547' ' ' LEU . 5.0 p -61.79 -39.54 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.461 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 57.9 mt -63.33 -31.54 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 13.1 m -67.36 -35.24 78.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.9 mt -63.64 -39.36 94.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.607 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.915 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -85.77 -31.74 22.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.818 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.915 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.3 m-85 -54.95 -24.0 21.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -48.01 -28.55 2.85 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-O 121.114 0.483 . . . . 0.0 110.057 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.4 t -105.6 76.8 0.36 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.945 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -46.86 -27.73 6.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 556' ' ' GLU . . . -69.84 -48.49 58.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.117 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.449 ' H ' HG12 ' A' ' 551' ' ' VAL . 79.0 t -82.98 -41.78 17.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.058 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.847 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.48 -36.04 54.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.03 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 17.0 pt-20 -74.48 -46.04 42.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.549 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -42.7 96.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -72.65 -39.01 60.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.815 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.483 ' N ' HD12 ' A' ' 558' ' ' ILE . 15.2 mm100 -62.18 -41.43 98.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.723 0.297 . . . . 0.0 111.186 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.99 -47.91 84.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.89 -33.79 45.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.695 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.79 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.5 t -63.28 -55.94 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.817 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 1.9 t70 -59.31 -36.01 74.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.51 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.542 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.5 mm-40 -69.4 -24.92 63.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -75.47 -32.08 60.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.881 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mt -86.54 -19.22 29.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.542 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 5.9 mt-30 -59.4 -43.14 93.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -29.27 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.086 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.932 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.982 0.42 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.55 -31.35 72.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 28.6 mtp -65.78 -47.89 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.05 -39.71 79.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 470' ' ' ARG . 9.3 m-20 -64.61 -51.43 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.633 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -47.33 -45.7 24.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.981 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -32.28 71.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -81.02 -41.95 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.983 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 466' ' ' ASN . 23.8 mmm180 -60.66 -60.83 3.18 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 109.858 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.456 HD12 ' OD1' ' A' ' 475' ' ' ASN . 1.0 OUTLIER -53.15 -37.6 61.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.559 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 497' ' ' TYR . . . -68.52 -42.83 77.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.134 0.492 . . . . 0.0 109.749 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.88 HD21 ' HB2' ' A' ' 544' ' ' SER . 0.3 OUTLIER -65.13 -50.2 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -26.67 68.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.315 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 475' ' ' ASN . . . . . 0.456 ' OD1' HD12 ' A' ' 471' ' ' LEU . 1.2 m120 -70.32 -49.71 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.261 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.473 ' OH ' ' HB3' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -70.32 -28.13 64.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.922 0.392 . . . . 0.0 110.232 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.602 HD13 HD12 ' A' ' 480' ' ' LEU . 19.0 mm -67.93 -33.08 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.207 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -61.7 -47.24 86.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.851 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -61.06 -30.15 70.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.244 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 548' ' ' LEU . 9.5 mt -59.11 -47.21 86.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.312 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.798 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.3 mp0 -88.03 -11.26 47.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -27.9 -51.74 0.07 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 481' ' ' GLN . 72.5 t 46.69 97.43 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 69.4 Cg_endo -74.18 134.78 37.19 Favored 'Cis proline' 0 C--N 1.349 0.581 0 C-N-CA 123.393 -1.503 . . . . 0.0 112.155 -0.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 84.4 Cg_endo -82.38 139.81 10.53 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.401 2.067 . . . . 0.0 112.311 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.916 ' O ' HG13 ' A' ' 490' ' ' VAL . 7.5 mtt180 -101.47 83.71 0.47 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.498 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.0 Cg_endo -47.87 -25.68 6.38 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.878 2.386 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -27.81 24.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.332 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 486' ' ' ARG . 0.0 OUTLIER -87.65 -36.39 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.639 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.1 m -62.58 -36.03 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.205 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.631 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -58.22 -32.26 68.15 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 121.004 0.431 . . . . 0.0 109.983 179.176 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -66.49 -45.44 79.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.421 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -56.16 -35.88 67.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.476 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.4 mm? -58.69 -49.95 75.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.065 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.518 ' CG ' HD13 ' A' ' 565' ' ' LEU . 17.3 mtpt -47.07 -43.39 20.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -54.86 33.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.191 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.721 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -59.65 -34.84 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.012 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.948 HG11 HD21 ' A' ' 566' ' ' LEU . 77.2 t -69.77 -51.27 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.405 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -26.29 28.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.87 69.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.55 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.56 ' HG3' ' HE2' ' A' ' 541' ' ' MET . 1.2 mt-10 -62.48 -44.1 97.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.133 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.4 -37.76 65.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.484 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -66.92 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.307 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' ASP . . . . . 0.581 ' OD1' HD11 ' A' ' 537' ' ' ILE . 12.9 t70 -63.8 -41.73 97.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.421 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.481 ' HA ' HD13 ' A' ' 537' ' ' ILE . 6.4 ttt180 -60.43 -40.54 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.259 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.96 -31.31 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.301 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -70.36 -31.37 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.33 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.64 HG21 ' HG ' ' A' ' 534' ' ' LEU . 3.7 m -60.49 -48.98 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.5 mp -58.2 -43.68 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.64 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -60.57 -38.7 85.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.629 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.838 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.1 OUTLIER -60.3 -36.24 77.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.791 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -57.62 -54.57 45.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.504 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.209 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.651 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.057 HG11 HD11 ' A' ' 526' ' ' ILE . 12.7 p -60.57 -24.34 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.78 -23.31 58.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.5 mtp -87.34 -22.29 25.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.457 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.24 -41.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.51 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 2.2 t0 -128.9 73.69 81.37 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.05 -31.77 83.76 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.69 2.26 . . . . 0.0 112.392 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -63.62 -56.69 13.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.605 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.58 -27.4 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -53.14 -40.06 63.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.33 61.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.686 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -74.4 -30.29 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.678 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.057 HD11 HG11 ' A' ' 515' ' ' VAL . 23.1 pt -82.41 -7.58 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.502 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -42.71 -45.45 4.74 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.849 0.357 . . . . 0.0 111.363 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 1.9 m -71.26 -29.71 65.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.723 ' O ' HG22 ' A' ' 532' ' ' THR . 0.6 OUTLIER -73.83 -44.87 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.17 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.791 HG11 ' CD2' ' A' ' 512' ' ' PHE . 10.0 t -58.16 -32.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.665 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.0 mmt -66.23 -56.21 12.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.416 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.9 t -55.1 -28.95 56.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.492 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 530' ' ' VAL . 4.8 m-70 -58.75 -47.78 83.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.184 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -62.58 -43.9 97.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 109.77 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -59.08 -41.86 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.659 HG13 ' HG3' ' A' ' 540' ' ' ARG . 22.9 t -53.45 -40.97 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.581 HD11 ' OD1' ' A' ' 504' ' ' ASP . 0.7 OUTLIER -55.68 -54.08 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.555 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -73.97 -41.89 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -55.76 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.41 . . . . 0.0 110.714 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.659 ' HG3' HG13 ' A' ' 536' ' ' VAL . 37.0 mtt180 -56.45 -30.37 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.56 ' HE2' ' HG3' ' A' ' 501' ' ' GLU . 31.2 ttm -58.51 -37.3 75.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.162 0.506 . . . . 0.0 109.688 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.55 -36.88 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.967 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.85 80.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.88 ' HB2' HD21 ' A' ' 473' ' ' LEU . 8.3 p -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.204 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 59.1 mt -56.57 -32.59 65.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.555 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.8 OUTLIER -68.14 -38.72 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.466 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 544' ' ' SER . 24.6 mt -62.1 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.483 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -81.61 -31.61 32.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.589 179.317 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.891 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.0 m-85 -54.66 -23.82 18.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.124 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.38 -28.92 2.28 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.053 0.454 . . . . 0.0 110.099 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.46 77.8 0.33 Allowed Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.757 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.86 -31.94 8.66 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.829 2.352 . . . . 0.0 112.637 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.08 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.324 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 557' ' ' GLU . 86.5 t -77.01 -42.55 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.088 0.47 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.875 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.77 -33.63 24.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.698 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -78.61 -51.71 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.509 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 554' ' ' VAL . 16.5 pt-20 -61.39 -42.5 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.074 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 554' ' ' VAL . 2.4 pp -72.62 -35.76 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.709 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.47 -41.88 97.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -50.41 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.669 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.8 -40.22 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.791 ' HA ' HD23 ' A' ' 565' ' ' LEU . 5.7 t -63.55 -53.42 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.722 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.73 -28.06 60.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.597 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.579 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 52.2 mm-40 -76.84 -23.99 52.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -77.74 -38.49 46.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.592 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.948 HD21 HG11 ' A' ' 498' ' ' VAL . 1.5 mt -86.93 -23.17 25.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.579 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.0 OUTLIER -64.73 -58.34 6.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -52.64 -38.28 60.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 566' ' ' LEU . 10.3 pt-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 121.081 0.467 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.678 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.82 -42.49 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 30.7 mt -56.54 -38.89 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' ASN . . . . . 0.404 ' O ' ' HG2' ' A' ' 470' ' ' ARG . 2.3 m-80 -62.77 -55.57 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.637 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -43.64 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.963 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -59.08 -32.56 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -81.28 -41.58 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 466' ' ' ASN . 16.0 mmm180 -60.96 -59.9 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.217 0.532 . . . . 0.0 109.894 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.412 HD12 ' OD1' ' A' ' 475' ' ' ASN . 1.5 pp -55.92 -38.82 70.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.72 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.88 -40.98 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.189 0.519 . . . . 0.0 109.943 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.716 HD21 ' HB3' ' A' ' 544' ' ' SER . 0.2 OUTLIER -68.36 -53.47 23.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.874 178.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.53 -24.63 65.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.464 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 475' ' ' ASN . . . . . 0.431 ' HB3' ' HG2' ' A' ' 493' ' ' MET . 1.2 m120 -70.77 -49.8 42.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.712 ' HE2' HD22 ' A' ' 473' ' ' LEU . 0.6 OUTLIER -70.61 -29.93 66.45 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.051 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.756 HD13 HD12 ' A' ' 480' ' ' LEU . 20.7 mm -60.23 -33.89 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.875 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -66.76 -46.97 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.683 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.585 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -63.53 -26.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.087 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.756 HD12 HD13 ' A' ' 477' ' ' ILE . 13.6 mt -61.49 -49.14 77.97 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.216 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.813 ' O ' HG23 ' A' ' 483' ' ' VAL . 5.6 mp0 -84.0 -11.64 56.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -30.84 -50.66 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.8 t 46.04 95.23 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.662 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 73.5 Cg_endo -76.09 133.17 30.1 Favored 'Cis proline' 0 C--N 1.349 0.564 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.202 -0.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.449 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 73.5 Cg_endo -74.46 158.41 44.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.318 2.012 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.769 ' O ' HG13 ' A' ' 490' ' ' VAL . 11.0 mmt180 -113.01 80.68 4.16 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.032 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.516 ' HA ' HG22 ' A' ' 490' ' ' VAL . 71.3 Cg_exo -48.2 -24.1 5.4 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.598 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.22 -26.49 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.098 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.422 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.3 t60 -87.22 -36.13 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.819 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.5 m -65.4 -37.01 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.521 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.737 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -61.98 -26.71 68.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.281 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 43.9 t30 -68.76 -56.22 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.594 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.431 ' HG2' ' HB3' ' A' ' 475' ' ' ASN . 0.0 OUTLIER -55.18 -27.7 47.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.618 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 490' ' ' VAL . 4.0 mm? -64.76 -51.75 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.421 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 6.5 ptmt -56.71 -27.41 59.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.421 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.1 OUTLIER -74.25 -49.74 21.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.967 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.652 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -60.35 -42.62 96.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 179.632 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 566' ' ' LEU . 60.0 t -60.11 -43.57 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.335 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.4 62.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -76.95 -51.28 11.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 498' ' ' VAL . 0.2 OUTLIER -57.89 -29.08 64.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.854 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 12.5 mt-30 -74.35 -37.55 63.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -64.78 -33.21 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.437 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' ASP . . . . . 0.4 ' HB3' ' CG1' ' A' ' 537' ' ' ILE . 0.5 OUTLIER -65.99 -50.45 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.503 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.54 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.4 OUTLIER -58.65 -45.72 88.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.334 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -64.51 -28.98 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.5 -34.61 65.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.305 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 530' ' ' VAL . 88.6 m -60.58 -44.71 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.37 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -51.7 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -51.92 -39.22 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.887 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.562 ' O ' HG12 ' A' ' 515' ' ' VAL . 2.8 m-70 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 516' ' ' ARG . 0.3 OUTLIER -54.12 -48.07 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.146 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.39 -36.54 66.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.49 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -59.7 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.562 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.092 HG11 HD11 ' A' ' 526' ' ' ILE . 8.3 p -61.19 -24.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 5.8 tpt180 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.687 0.279 . . . . 0.0 111.081 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 56.2 mtm -82.56 -22.85 34.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.173 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -43.96 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.643 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 515' ' ' VAL . 0.3 OUTLIER -122.27 79.69 44.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.397 -179.447 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.47 -55.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.438 2.092 . . . . 0.0 112.002 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -57.59 -48.71 78.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.586 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.417 ' CE ' ' CG2' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -58.83 -40.32 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.316 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.469 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -52.76 -33.83 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.78 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.38 -33.16 61.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.764 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -76.49 -31.44 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.092 HD11 HG11 ' A' ' 515' ' ' VAL . 11.3 pt -92.87 -15.82 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.223 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 19.8 m -50.65 -28.09 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.026 0.441 . . . . 0.0 110.247 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.603 ' O ' HG22 ' A' ' 532' ' ' THR . 1.1 tt0 -82.97 -37.54 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.661 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.525 HG13 HG23 ' A' ' 508' ' ' THR . 49.0 t -69.04 -32.61 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.08 179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.632 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.7 mmt -65.41 -48.98 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.517 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.2 t -63.33 -25.27 68.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.306 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.835 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.3 OUTLIER -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.197 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -67.21 -53.18 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.537 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 16.5 ptt180 -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 532' ' ' THR . 2.4 t -65.51 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -58.85 -49.09 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.352 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.19 -33.06 50.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.83 -54.77 25.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.103 0.477 . . . . 0.0 110.404 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.408 ' HG3' HG13 ' A' ' 536' ' ' VAL . 0.6 OUTLIER -58.01 -32.88 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.204 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 4.6 ttm -58.1 -36.25 72.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.83 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.42 -37.09 85.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.806 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -40.95 88.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.074 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.716 ' HB3' HD21 ' A' ' 473' ' ' LEU . 6.1 m -64.14 -43.42 95.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.589 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.89 -42.79 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -36.57 67.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 544' ' ' SER . 28.0 mt -58.75 -53.92 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.993 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.913 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -76.63 -28.96 56.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.431 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.913 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.6 m-85 -60.28 -19.77 56.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.407 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 87.3 m-20 -47.67 -29.15 2.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.141 0.496 . . . . 0.0 110.155 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 76.76 0.34 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.736 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 552' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 2.1 Cg_endo -45.93 -30.4 7.01 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.0 112.523 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.16 -54.06 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.68 -45.43 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.826 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.16 -33.52 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.67 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.69 -51.51 11.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.366 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.03 -42.59 94.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.729 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.601 HG21 HG21 ' A' ' 490' ' ' VAL . 2.6 pp -71.72 -40.26 69.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.76 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.514 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.7 mm-40 -62.12 -44.36 96.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -48.21 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.064 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.17 -39.17 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.474 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.937 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.8 t -60.03 -50.68 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.4 t70 -58.58 -40.52 83.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.476 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 5.0 mm-40 -66.9 -24.55 66.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.442 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.37 -31.49 58.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 111.57 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mp -84.17 -18.58 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 11.1 mm-40 -58.73 -52.24 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.645 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -91.23 -24.56 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.506 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 465' ' ' LEU . 6.8 mt-10 . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 121.016 0.436 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.853 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -37.83 88.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.689 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 462' ' ' GLU . 1.2 mt -63.28 -43.59 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -62.58 -38.93 92.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.403 ' O ' HD23 ' A' ' 471' ' ' LEU . 47.3 m-20 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.675 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 9.6 mtt85 -58.77 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -82.49 -40.47 21.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -62.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 467' ' ' ASP . 1.5 pp -57.32 -36.97 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.537 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -66.84 -37.38 84.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 110.046 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.458 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.2 tm? -72.9 -47.73 43.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.91 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.82 -28.09 69.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.363 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -70.15 -48.04 59.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.521 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -64.37 -37.44 87.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.166 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.514 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -57.64 -34.76 48.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.278 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 75.2 m -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.902 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.139 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.1 mt -59.18 -41.99 89.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.234 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.792 ' O ' HG23 ' A' ' 483' ' ' VAL . 60.9 mm-40 -80.47 -13.27 59.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -31.89 -51.58 0.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 481' ' ' GLN . 40.8 t 42.97 96.53 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.007 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 74.4 Cg_endo -75.25 134.25 35.04 Favored 'Cis proline' 0 C--N 1.349 0.578 0 C-N-CA 123.425 -1.489 . . . . 0.0 112.231 -0.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 73.3 Cg_endo -75.71 158.11 39.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.343 2.029 . . . . 0.0 112.425 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.551 ' O ' HG13 ' A' ' 490' ' ' VAL . 4.9 mmt85 -111.12 80.07 2.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 490' ' ' VAL . 79.8 Cg_exo -44.32 -26.97 1.8 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.694 2.263 . . . . 0.0 112.93 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -25.98 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.518 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 489' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.82 -38.06 17.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 486' ' ' ARG . 5.6 m -63.94 -35.82 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.44 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -54.22 -35.01 61.96 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.968 0.414 . . . . 0.0 110.0 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.448 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 36.0 t30 -67.19 -45.52 76.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.983 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.497 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -60.25 -47.63 85.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.089 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 498' ' ' VAL . 2.6 mm? -59.29 -48.81 80.24 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.727 ' HG3' HD13 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.06 -35.45 59.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.621 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 497' ' ' TYR . 0.0 OUTLIER -72.27 -47.11 52.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.11 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.477 ' N ' ' HG2' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -61.58 -42.34 98.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.693 179.235 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.898 HG11 HD21 ' A' ' 566' ' ' LEU . 85.2 t -59.09 -49.45 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.621 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.0 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 497' ' ' TYR . . . -74.23 -49.22 24.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.775 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 498' ' ' VAL . 0.8 OUTLIER -58.57 -28.95 66.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 26.4 mt-30 -69.45 -41.22 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.272 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -60.43 -27.78 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.598 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.08 -44.72 45.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.547 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -57.63 -51.06 71.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.541 179.699 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.77 -27.49 68.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.465 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -32.77 71.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.403 HG22 ' CG1' ' A' ' 530' ' ' VAL . 51.4 m -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.527 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.9 mp -56.38 -37.2 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -45.43 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.725 ' O ' HG12 ' A' ' 515' ' ' VAL . 6.8 m80 -64.92 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.681 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -54.27 -49.89 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.77 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -81.69 -37.2 27.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.985 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' HIS . . . . . 0.541 ' O ' HG22 ' A' ' 518' ' ' VAL . 1.5 t60 -64.23 -56.66 13.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.729 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.074 HG11 HD11 ' A' ' 526' ' ' ILE . 4.8 p -62.12 -30.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -24.16 64.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 517' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.5 OUTLIER -89.03 -48.51 7.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.067 0.461 . . . . 0.0 110.661 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 514' ' ' HIS . 22.3 m -76.2 -46.85 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.524 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 518' ' ' VAL . 2.7 t0 -129.62 76.52 78.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.205 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.12 -33.29 91.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.611 2.207 . . . . 0.0 112.332 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -62.91 -55.89 22.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.589 ' HD2' HD13 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -72.09 -30.36 65.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.485 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -53.57 -37.26 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.414 ' HA ' ' HD2' ' A' ' 527' ' ' ARG . . . -73.62 -29.83 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.101 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -80.57 -28.85 37.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.238 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.074 HD11 HG11 ' A' ' 515' ' ' VAL . 28.4 pt -87.87 -19.45 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.706 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.681 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.0 -51.87 3.21 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.784 0.326 . . . . 0.0 111.721 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -35.64 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.632 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.774 ' O ' HG22 ' A' ' 532' ' ' THR . 1.0 OUTLIER -73.89 -41.8 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.015 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 526' ' ' ILE . 29.1 t -61.59 -32.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.17 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.597 ' HA ' HD12 ' A' ' 534' ' ' LEU . 1.3 mmt -62.34 -54.55 38.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.6 t -55.96 -26.27 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.395 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -49.1 79.0 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.474 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -63.02 -40.08 96.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 531' ' ' MET . 7.6 mmt85 -62.08 -45.65 92.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.222 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 540' ' ' ARG . 28.8 t -55.03 -34.3 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.651 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -59.59 -54.73 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 179.702 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 538' ' ' TYR . . . . . 0.472 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -77.47 -37.56 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.66 -54.58 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.448 ' CG ' HG13 ' A' ' 536' ' ' VAL . 3.3 mmm180 -54.62 -39.44 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.407 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.618 ' HE1' HG13 ' A' ' 498' ' ' VAL . 4.2 ttm -54.67 -35.05 63.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.211 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.55 -34.08 76.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.41 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -66.96 -44.81 79.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.519 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.858 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.4 m -59.92 -35.84 75.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.706 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 545' ' ' LEU . 44.8 mt -60.8 -53.93 51.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 21.5 p -49.85 -35.53 23.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.858 HD12 ' HA ' ' A' ' 544' ' ' SER . 24.5 mt -61.99 -41.43 98.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -84.94 -30.99 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.923 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.6 m-85 -57.08 -22.28 38.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.242 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.404 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 79.9 m-20 -47.66 -29.27 2.87 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.223 0.535 . . . . 0.0 110.027 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.5 t -105.37 77.02 0.35 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.79 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.6 Cg_endo -45.47 -31.02 6.36 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.867 2.378 . . . . 0.0 112.469 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.88 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.016 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.429 ' H ' HG12 ' A' ' 551' ' ' VAL . 93.6 t -74.45 -43.58 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.885 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.0 -31.55 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.87 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.12 -49.62 12.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 111.512 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.83 -49.65 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.151 0.501 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.55 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -63.36 -38.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.629 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -62.72 -38.08 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 111.203 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.22 -50.46 73.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.996 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.88 -38.08 28.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.713 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 565' ' ' LEU . 8.2 t -62.95 -55.2 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.746 0.308 . . . . 0.0 110.754 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 10.1 t0 -59.06 -36.43 75.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.203 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.554 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.97 -24.86 64.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.105 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -73.6 -36.62 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.13 -179.126 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.898 HD21 HG11 ' A' ' 498' ' ' VAL . 1.8 mp -86.73 -16.22 37.07 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.554 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 17.5 mt-30 -54.93 -47.66 74.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -45.63 89.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.899 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.601 ' HA ' HD12 ' A' ' 465' ' ' LEU . 10.4 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.052 0.453 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.83 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -39.62 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.829 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 462' ' ' GLU . 8.6 mt -64.16 -37.63 88.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -63.28 -37.64 88.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -43.81 98.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.583 ' HA ' HD23 ' A' ' 471' ' ' LEU . 0.6 OUTLIER -59.29 -40.76 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.8 ttp-105 -79.06 -36.33 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -46.74 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.532 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 468' ' ' ARG . 0.8 OUTLIER -61.9 -36.91 82.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.38 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -64.7 -48.85 73.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.508 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.561 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -67.07 -41.42 86.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.935 179.327 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.19 -26.99 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.321 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' ASN . . . . . 0.479 ' OD1' HD12 ' A' ' 471' ' ' LEU . 3.0 m120 -64.95 -51.41 61.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' A' ' 473' ' ' LEU . 1.9 p90 -63.01 -33.97 76.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.967 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.654 HD13 HD12 ' A' ' 480' ' ' LEU . 22.6 mm -54.68 -34.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.109 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.3 m -68.06 -47.22 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.744 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.456 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -61.9 -27.17 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.07 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.654 HD12 HD13 ' A' ' 477' ' ' ILE . 14.4 mt -59.82 -49.13 78.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.226 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.804 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.9 mp0 -80.37 -11.76 59.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.472 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -31.44 -50.69 0.18 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.985 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 481' ' ' GLN . 47.8 t 44.29 96.22 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.819 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 7.6 Cg_exo -72.95 134.3 34.41 Favored 'Cis proline' 0 C--N 1.348 0.549 0 C-N-CA 123.799 -1.334 . . . . 0.0 112.06 -0.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 98.9 Cg_endo -79.4 158.01 25.76 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.392 2.061 . . . . 0.0 112.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.697 ' O ' HG13 ' A' ' 490' ' ' VAL . 4.4 mtt-85 -113.45 78.47 3.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 490' ' ' VAL . 71.0 Cg_exo -48.15 -24.82 6.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.507 2.138 . . . . 0.0 112.614 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 -26.67 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.332 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.8 OUTLIER -86.36 -37.54 18.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.015 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.765 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.9 m -63.98 -36.0 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.32 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.518 ' CE2' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.26 -32.59 62.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.357 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.415 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 18.6 t-20 -67.92 -54.85 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.351 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -56.18 -25.53 47.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.9 mm? -67.18 -52.62 39.09 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 0.5 OUTLIER -54.6 -27.61 40.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.807 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -70.32 -55.55 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.038 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 497' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -32.61 53.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.858 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.866 HG11 ' CD2' ' A' ' 566' ' ' LEU . 81.0 t -72.68 -46.3 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.075 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -25.96 40.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.83 -43.41 54.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.017 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 498' ' ' VAL . 1.2 pt-20 -62.49 -28.44 69.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.47 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 502' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 34.7 mt-30 -65.73 -55.17 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.299 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.53 -42.03 65.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.644 ' HA ' HD13 ' A' ' 537' ' ' ILE . 9.4 ttp-105 -60.07 -55.29 35.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.395 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -28.2 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -33.59 72.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.088 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.82 HG21 ' HB2' ' A' ' 534' ' ' LEU . 82.9 m -58.21 -52.92 63.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.0 mp -61.16 -41.31 96.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -64.26 -39.2 93.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.565 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.581 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.5 OUTLIER -57.28 -35.36 69.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 110.477 179.59 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.526 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.3 OUTLIER -61.1 -54.69 41.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.484 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -70.97 -28.97 64.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.194 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -66.71 -60.87 2.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.933 HG11 HD11 ' A' ' 526' ' ' ILE . 12.9 p -60.98 -21.32 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.98 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -77.74 -23.52 49.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.727 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 27.1 mtp -85.28 -22.37 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.85 -42.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 111.495 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 17.7 m-20 -130.24 74.35 80.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.112 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.16 -39.2 71.06 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.596 2.197 . . . . 0.0 112.257 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.609 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -73.24 -26.34 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -56.47 -37.89 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.54 62.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -76.06 -26.3 56.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.933 HD11 HG11 ' A' ' 515' ' ' VAL . 36.4 pt -86.18 -6.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.723 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.457 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.37 -47.68 3.59 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.841 0.353 . . . . 0.0 111.55 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 73.3 m -62.84 -32.73 74.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.761 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.576 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -74.58 -47.55 31.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.358 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.526 HG11 ' CD2' ' A' ' 512' ' ' PHE . 42.3 t -63.79 -32.38 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.341 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.0 mmt -69.26 -50.12 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.617 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 536' ' ' VAL . 11.6 t -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.869 0.366 . . . . 0.0 110.286 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.555 ' O ' HD12 ' A' ' 537' ' ' ILE . 7.7 t-160 -58.01 -40.63 81.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.112 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.82 ' HB2' HG21 ' A' ' 508' ' ' THR . 2.5 tm? -64.52 -45.27 87.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.122 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 11.0 mtp85 -64.17 -36.26 83.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 532' ' ' THR . 42.0 t -59.44 -37.91 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.219 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.644 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.57 -53.3 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.272 179.44 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.46 -42.85 52.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.09 -52.19 66.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.508 ' CG ' HG13 ' A' ' 536' ' ' VAL . 4.2 mmt85 -56.85 -36.04 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.661 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.728 ' HE1' HG13 ' A' ' 498' ' ' VAL . 6.4 ttm -56.89 -35.5 69.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.005 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' ASN . . . . . 0.415 ' HA ' HD12 ' A' ' 545' ' ' LEU . 0.3 OUTLIER -68.33 -33.04 73.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.295 179.433 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.81 -41.53 95.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.581 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.0 OUTLIER -60.4 -38.16 83.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.532 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.421 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 42.8 mt -62.87 -33.03 74.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -41.43 81.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.3 mt -60.03 -41.21 91.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.003 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.913 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.64 -29.86 23.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.216 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.913 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.3 m-85 -58.55 -20.98 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.394 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.54 -29.11 2.59 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.052 0.454 . . . . 0.0 110.156 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.3 t -104.56 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.043 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.37 -30.55 8.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.82 2.347 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -54.02 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 551' ' ' VAL . 94.2 t -75.67 -45.51 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.835 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -49.62 -35.47 21.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.698 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.4 -52.02 13.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.409 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.023 0.44 . . . . 0.0 110.575 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.29 -36.42 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.726 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.48 -37.99 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -52.67 64.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.01 -36.3 64.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.366 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.959 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.4 t -64.67 -56.87 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.712 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.86 -27.68 60.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 44.8 mt-10 -79.87 -22.73 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.959 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -82.07 -35.56 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.352 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.866 ' CD2' HG11 ' A' ' 498' ' ' VAL . 1.2 mp -87.02 -17.07 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pt20 -57.11 -52.15 66.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 110.74 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.31 -48.13 83.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.95 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 465' ' ' LEU . 8.0 pt-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.129 0.49 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.77 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -41.21 77.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.816 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 462' ' ' GLU . 19.8 mt -60.05 -37.66 80.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.781 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.93 -39.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.25 -51.39 61.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.408 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 5.2 mtp85 -59.82 -27.96 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.53 -46.71 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.93 86.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 468' ' ' ARG . 0.9 OUTLIER -67.44 -38.7 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.08 -37.09 80.83 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.019 0.437 . . . . 0.0 110.335 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.819 HD21 ' OG ' ' A' ' 544' ' ' SER . 0.5 OUTLIER -75.64 -46.32 32.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.801 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.98 -25.0 66.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.695 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -72.3 -45.95 57.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.55 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.2 -39.52 86.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.622 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.52 HD13 HD12 ' A' ' 480' ' ' LEU . 19.2 mm -56.26 -34.88 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -56.69 -46.79 80.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.93 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.785 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.76 -31.16 72.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.227 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' A' ' 548' ' ' LEU . 5.9 mt -61.61 -44.21 97.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.227 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 483' ' ' VAL . 76.3 mm-40 -87.37 -13.36 43.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.447 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -35.6 -56.48 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.965 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.1 t 49.74 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.493 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 13.1 Cg_exo -69.73 134.54 29.85 Favored 'Cis proline' 0 C--N 1.349 0.554 0 C-N-CA 123.565 -1.431 . . . . 0.0 112.08 -0.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.62 151.59 10.19 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.551 2.168 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.921 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.8 mtt-85 -103.13 80.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.496 ' O ' HG22 ' A' ' 558' ' ' ILE . 7.0 Cg_endo -49.38 -23.79 7.77 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.677 2.252 . . . . 0.0 112.401 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 488' ' ' ARG . . . . . 0.415 ' CD ' ' H ' ' A' ' 488' ' ' ARG . 0.0 OUTLIER -86.32 -28.07 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -87.39 -35.05 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.7 m -64.12 -36.58 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.397 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.717 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.76 -23.98 66.85 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.231 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 50.8 t30 -67.71 -58.96 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.1 -30.22 15.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 110.508 179.687 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.6 mm? -61.35 -53.24 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.44 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -57.56 -27.48 62.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.892 -179.799 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.44 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -75.53 -50.64 15.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.849 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.69 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -61.12 -31.75 71.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.85 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 494' ' ' LEU . 95.2 t -65.23 -51.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.639 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -28.45 36.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.74 78.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.419 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 0.8 OUTLIER -66.8 -48.29 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -52.21 -34.23 44.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -75.39 -26.4 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.445 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' ASP . . . . . 0.442 ' OD1' HD13 ' A' ' 465' ' ' LEU . 0.7 OUTLIER -75.95 -42.41 48.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -36.27 79.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.183 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -62.04 -32.43 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.594 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -66.69 -38.93 87.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.803 HG21 ' HB2' ' A' ' 534' ' ' LEU . 94.5 m -55.93 -46.9 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 509' ' ' LEU . 0.7 OUTLIER -58.39 -54.08 51.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.478 179.486 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.42 -38.29 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.671 ' O ' HG12 ' A' ' 515' ' ' VAL . 9.1 m80 -57.39 -35.55 70.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.741 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.457 ' CZ ' ' HB ' ' A' ' 530' ' ' VAL . 0.2 OUTLIER -63.1 -56.51 16.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.876 179.785 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.25 -28.63 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.413 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -65.48 -60.24 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.974 HG11 HD11 ' A' ' 526' ' ' ILE . 12.3 p -61.32 -21.75 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -79.54 -23.24 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 21.6 mtp -83.39 -24.78 31.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.776 0.322 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.6 m -110.05 -41.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.89 75.67 71.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.83 -49.9 14.2 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.599 2.2 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -52.74 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -62.38 -36.96 83.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.56 -32.6 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.189 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.33 54.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.197 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -80.32 -24.5 39.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.974 HD11 HG11 ' A' ' 515' ' ' VAL . 23.7 pt -91.63 -11.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.831 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.452 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.9 OUTLIER -41.14 -48.76 3.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.772 0.32 . . . . 0.0 111.567 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -62.35 -33.45 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.721 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 532' ' ' THR . 0.4 OUTLIER -75.51 -48.75 21.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.227 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.457 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 46.1 t -60.35 -32.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.17 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.426 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 4.6 mmt -67.37 -54.88 16.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.4 t -58.27 -32.89 68.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.45 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -58.71 -37.92 77.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.079 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.803 ' HB2' HG21 ' A' ' 508' ' ' THR . 2.5 tm? -70.74 -43.52 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.283 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 531' ' ' MET . 2.0 mtp-105 -65.14 -37.22 86.72 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.574 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.673 HG13 ' HG3' ' A' ' 540' ' ' ARG . 5.9 t -57.75 -35.01 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.135 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 538' ' ' TYR . 0.2 OUTLIER -61.38 -51.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.411 179.435 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 538' ' ' TYR . . . . . 0.466 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.54 -40.39 56.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.14 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.45 -53.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.673 ' HG3' HG13 ' A' ' 536' ' ' VAL . 5.6 mtm180 -57.96 -33.26 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 31.8 ttm -58.9 -35.28 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.055 0.455 . . . . 0.0 110.031 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.406 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.47 -39.55 94.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.819 ' OG ' HD21 ' A' ' 473' ' ' LEU . 9.7 t -62.34 -42.49 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.5 mt -63.25 -28.37 69.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.622 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 13.8 t -72.21 -34.05 68.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 0.0 110.494 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 544' ' ' SER . 23.4 mt -62.37 -40.21 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.511 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.71 -31.94 22.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.13 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.931 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.1 OUTLIER -55.96 -22.28 25.61 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.063 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.41 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 88.4 m-20 -48.47 -28.85 3.56 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.466 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.3 t -106.3 75.15 0.35 Allowed Pre-proline 0 N--CA 1.454 -0.229 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.703 178.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 552' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.6 Cg_endo -45.34 -28.92 4.15 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.8 2.334 . . . . 0.0 112.329 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.43 -54.07 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.466 ' H ' HG12 ' A' ' 551' ' ' VAL . 69.2 t -74.16 -42.77 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.414 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.856 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.47 -36.12 54.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.599 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.89 -50.73 22.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.76 -44.44 96.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 487' ' ' PRO . 2.5 pp -70.85 -36.9 66.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.576 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 11.5 mm100 -62.1 -45.25 94.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 111.161 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -46.39 85.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -78.57 -35.87 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.477 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.942 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.4 t -61.35 -53.86 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.773 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.7 t0 -58.95 -38.99 80.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.483 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.416 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.942 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.04 -32.09 59.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.556 -179.334 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.2 mt -86.78 -15.51 39.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 5.7 mm100 -54.92 -50.99 67.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.405 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -58.26 -36.68 73.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.877 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.918 0.39 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.7 71.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -39.1 83.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -31.37 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.54 -37.93 74.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -51.64 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.4 ' HA ' HD23 ' A' ' 471' ' ' LEU . 0.0 OUTLIER -60.0 -28.74 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.792 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -83.71 -50.39 8.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -45.28 93.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.457 HD12 ' OD1' ' A' ' 475' ' ' ASN . 0.4 OUTLIER -66.29 -35.27 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.404 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -69.02 -45.63 70.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.482 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -68.19 -42.2 80.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.115 179.344 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.35 -27.65 69.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 475' ' ' ASN . . . . . 0.457 ' OD1' HD12 ' A' ' 471' ' ' LEU . 2.7 m120 -65.08 -51.91 58.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.493 ' CD2' HD22 ' A' ' 494' ' ' LEU . 2.0 p90 -62.74 -34.58 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.052 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 480' ' ' LEU . 23.1 mm -54.58 -34.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.223 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.1 m -68.35 -47.34 67.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.573 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.631 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.49 -18.53 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.336 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.689 HD12 HD13 ' A' ' 477' ' ' ILE . 14.4 mt -68.88 -47.28 66.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.323 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.721 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.8 mp0 -80.46 -12.62 59.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -33.88 -51.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.755 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 481' ' ' GLN . 41.1 t 43.47 94.7 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.88 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -71.42 134.01 30.72 Favored 'Cis proline' 0 C--N 1.347 0.448 0 C-N-CA 123.647 -1.397 . . . . 0.0 111.978 -0.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.606 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 82.4 Cg_endo -77.98 170.19 19.26 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.378 2.052 . . . . 0.0 112.233 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.663 ' O ' HG13 ' A' ' 490' ' ' VAL . 17.3 mtt85 -116.35 73.14 5.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.486 ' HA ' HG22 ' A' ' 490' ' ' VAL . 88.3 Cg_exo -46.21 -25.82 3.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.579 2.186 . . . . 0.0 112.682 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -27.11 24.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.352 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 8.8 t-160 -86.34 -36.23 19.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.501 0.667 . . . . 0.0 109.265 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.785 ' O ' HD23 ' A' ' 494' ' ' LEU . 4.4 m -65.71 -36.33 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.531 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.478 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -59.51 -27.44 66.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.365 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 10.3 t-20 -70.18 -55.89 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.313 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -54.83 -29.36 54.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 179.415 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.9 mm? -63.92 -53.61 47.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.803 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.688 ' CB ' HD11 ' A' ' 565' ' ' LEU . 1.1 ptmt -53.88 -26.65 25.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.793 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.447 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -76.2 -54.32 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.101 179.214 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.408 ' CE2' ' OE2' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -56.72 -37.91 71.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.95 HG22 ' HE2' ' A' ' 541' ' ' MET . 77.9 t -68.02 -47.51 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.464 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -26.13 61.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.677 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.8 -39.37 69.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.408 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 2.0 mt-10 -67.15 -42.97 83.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.391 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -55.04 -42.5 72.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.489 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' ASP . . . . . 0.589 ' OD1' HD11 ' A' ' 537' ' ' ILE . 5.4 t70 -66.45 -46.81 75.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.596 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -56.08 -49.24 74.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.424 179.659 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -66.65 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.153 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -69.99 -31.9 69.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.162 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 530' ' ' VAL . 67.1 m -61.04 -52.52 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.8 mp -56.88 -33.7 67.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -63.11 -45.76 90.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.682 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.3 OUTLIER -60.24 -32.77 71.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.712 179.789 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -58.73 -53.91 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.609 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.82 -37.77 64.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.12 -55.25 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.761 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.994 HG11 HD11 ' A' ' 526' ' ' ILE . 7.4 p -60.79 -24.81 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -74.75 -23.29 58.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 32.9 mtm -86.45 -23.76 25.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.366 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.84 -41.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.403 ' CB ' ' HG2' ' A' ' 522' ' ' LYS . 26.9 m-20 -130.9 73.98 80.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -40.35 78.32 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.613 2.208 . . . . 0.0 112.172 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.34 -54.62 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -68.49 -28.02 66.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -58.76 -34.03 70.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.36 57.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 525' ' ' GLN . . . . . 0.407 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 7.2 mt-30 -77.02 -27.25 54.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.994 HD11 HG11 ' A' ' 515' ' ' VAL . 28.2 pt -84.16 -12.31 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.615 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.08 -43.97 2.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.821 0.344 . . . . 0.0 111.617 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -76.54 -30.94 57.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.865 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -72.91 -46.83 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.529 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 512' ' ' PHE . 60.2 t -63.27 -32.86 57.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.619 ' HA ' HD12 ' A' ' 534' ' ' LEU . 2.1 mmt -61.82 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.743 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.865 HG22 ' O ' ' A' ' 529' ' ' GLN . 6.0 t -66.67 -25.29 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.399 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.864 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -62.81 -40.36 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.07 179.44 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -66.27 -54.83 20.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.253 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 8.5 ptm180 -62.35 -30.57 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 532' ' ' THR . 4.1 t -65.68 -35.7 75.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -58.72 -49.87 81.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.232 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -78.05 -36.85 47.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.6 -56.27 17.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.925 0.393 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -57.06 -33.04 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.408 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.95 ' HE2' HG22 ' A' ' 498' ' ' VAL . 5.1 ttm -58.46 -35.44 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.009 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -69.47 -32.61 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.374 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -64.57 -43.1 94.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.815 ' HA ' HD12 ' A' ' 547' ' ' LEU . 0.8 OUTLIER -62.94 -37.21 86.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.659 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.32 -37.83 75.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.5 t -64.89 -37.36 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.353 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.3 mt -59.5 -45.1 92.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -82.24 -28.89 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.318 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.906 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -59.61 -20.54 56.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.413 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 83.4 m-20 -47.05 -29.12 1.97 Allowed 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.155 0.502 . . . . 0.0 109.978 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.28 75.12 0.35 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.673 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 552' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 3.2 Cg_endo -46.78 -28.84 7.22 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.792 2.328 . . . . 0.0 112.364 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.23 48.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.81 -44.47 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.808 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.95 -31.28 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.57 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.05 -53.24 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.062 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.46 -45.26 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 562' ' ' VAL . 2.5 pp -64.8 -36.73 78.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -61.75 -36.68 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.7 -54.15 46.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.39 -35.55 65.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 558' ' ' ILE . 18.0 t -64.62 -55.24 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.78 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.03 -28.06 64.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.64 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.568 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.1 mt-10 -80.78 -24.63 38.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -82.14 -36.65 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.77 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.751 HD22 HG11 ' A' ' 498' ' ' VAL . 3.4 mt -86.76 -21.57 26.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.568 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pp0? -67.6 -59.58 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -27.98 29.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.93 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.669 ' HA ' HD12 ' A' ' 465' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.126 0.489 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.792 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.9 -37.79 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.763 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 462' ' ' GLU . 5.9 mt -66.29 -34.52 78.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -70.0 -45.54 67.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -47.91 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 3.3 mtp-105 -58.15 -30.73 66.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -83.89 -48.31 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.772 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -50.2 74.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 468' ' ' ARG . 1.1 pp -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.648 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.23 -40.11 93.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.048 0.451 . . . . 0.0 110.173 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -71.18 -49.44 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.757 179.076 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.48 -26.0 68.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.422 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -70.4 -49.67 46.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.398 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.63 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -67.63 -32.49 73.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.212 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.781 HD13 HD12 ' A' ' 480' ' ' LEU . 14.9 mm -61.06 -33.44 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.974 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 80.2 m -60.42 -45.84 92.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.889 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.635 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.06 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 548' ' ' LEU . 11.1 mt -58.57 -41.57 85.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.322 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 483' ' ' VAL . 92.5 mm-40 -84.45 -13.46 52.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.359 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -37.11 -55.72 0.94 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.91 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 481' ' ' GLN . 46.8 t 48.06 96.31 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.642 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.75 134.73 32.58 Favored 'Cis proline' 0 C--N 1.348 0.504 0 C-N-CA 123.574 -1.427 . . . . 0.0 112.022 0.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -83.23 155.23 14.53 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.492 2.128 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.771 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.0 OUTLIER -103.25 79.54 0.32 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.512 ' HA ' HG22 ' A' ' 490' ' ' VAL . 8.0 Cg_endo -49.83 -23.03 7.99 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.628 2.218 . . . . 0.0 112.21 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -87.89 -27.05 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.9 t-160 -86.54 -36.2 19.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.85 -37.71 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.486 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.774 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.29 -24.4 67.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.29 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 22.9 t-20 -69.52 -54.51 13.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.647 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.448 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -54.83 -26.84 37.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 498' ' ' VAL . 4.0 mm? -68.02 -49.14 63.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.232 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 5.3 ptmt -57.39 -29.75 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.988 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -83.76 -47.84 10.73 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.117 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -55.03 -39.01 68.69 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 494' ' ' LEU . 59.5 t -63.95 -41.81 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.296 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.82 61.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.75 67.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.41 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.405 ' OE2' ' CE1' ' A' ' 497' ' ' TYR . 1.1 mt-10 -64.5 -48.32 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.026 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.53 -37.81 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.324 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.72 -33.3 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.109 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.65 -42.32 95.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.295 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.624 ' HA ' HD13 ' A' ' 537' ' ' ILE . 3.9 ttt-85 -59.98 -42.22 93.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.205 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.51 -29.91 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.086 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.987 HG22 HG13 ' A' ' 530' ' ' VAL . 9.2 m -63.01 -44.27 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.43 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.0 mp -55.98 -37.95 69.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.771 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.58 -49.21 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.732 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.813 ' O ' HG12 ' A' ' 515' ' ' VAL . 1.1 m-70 -57.82 -38.32 75.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.745 ' CD1' HG21 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -54.99 -51.39 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.549 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.71 -34.43 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.089 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -64.6 -58.51 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.925 HG11 ' CD1' ' A' ' 526' ' ' ILE . 14.6 p -60.48 -24.39 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.09 -23.39 54.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.1 mtm -84.84 -24.51 28.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.332 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -110.1 -41.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.427 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -126.91 80.26 71.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.72 -50.66 11.87 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.582 2.188 . . . . 0.0 112.359 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -51.49 69.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -40.57 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.802 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.23 -31.84 54.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.22 -30.27 57.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -74.64 -29.89 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.925 ' CD1' HG11 ' A' ' 515' ' ' VAL . 36.3 pt -85.33 -12.6 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.567 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.06 -44.06 2.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.788 0.328 . . . . 0.0 111.692 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -79.76 -30.08 40.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.682 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -75.34 -45.76 37.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.556 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.987 HG13 HG22 ' A' ' 508' ' ' THR . 63.8 t -62.79 -33.03 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.092 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.614 ' HA ' HD12 ' A' ' 534' ' ' LEU . 2.2 mmt -65.11 -52.86 52.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.448 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.1 t -58.56 -28.71 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.647 ' HB3' HG21 ' A' ' 508' ' ' THR . 0.1 OUTLIER -57.9 -46.1 85.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.561 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -64.09 -44.69 91.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.114 0.483 . . . . 0.0 109.809 179.121 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -58.37 -39.75 80.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.955 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.673 HG13 ' HG3' ' A' ' 540' ' ' ARG . 42.5 t -55.72 -40.5 61.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.708 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.624 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.65 -52.37 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.684 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -75.89 -40.34 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.301 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.49 -55.75 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.673 ' HG3' HG13 ' A' ' 536' ' ' VAL . 1.7 mtt180 -57.38 -30.09 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.4 ' HB2' ' HE3' ' A' ' 541' ' ' MET . 35.6 ttm -60.32 -36.35 77.73 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 542' ' ' ASN . . . . . 0.643 ' HA ' HD12 ' A' ' 545' ' ' LEU . 4.0 m-80 -65.89 -35.04 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.878 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.91 -44.69 86.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.475 ' HB3' HD21 ' A' ' 473' ' ' LEU . 0.9 OUTLIER -57.4 -39.15 75.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.083 179.102 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 542' ' ' ASN . 40.0 mt -60.31 -28.56 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.591 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 0.3 OUTLIER -69.01 -39.04 79.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 110.404 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 544' ' ' SER . 25.2 mt -60.57 -48.18 82.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.363 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -74.07 -31.51 62.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.45 179.175 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.904 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.3 OUTLIER -54.53 -23.99 18.83 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.859 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 89.1 m-20 -46.62 -29.2 1.73 Allowed 'General case' 0 C--N 1.339 0.109 0 CA-C-O 121.248 0.547 . . . . 0.0 109.561 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.1 t -107.23 74.5 0.4 Allowed Pre-proline 0 N--CA 1.456 -0.168 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.478 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 552' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.3 Cg_endo -45.16 -29.08 3.89 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.749 2.299 . . . . 0.0 112.558 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.44 -50.9 41.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.966 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 551' ' ' VAL . 70.9 t -77.76 -40.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.904 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.88 -34.09 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.795 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -77.97 -50.21 12.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.669 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 554' ' ' VAL . 14.7 pt-20 -61.48 -40.25 93.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.38 -38.9 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.745 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -63.88 -43.09 97.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 110.958 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.62 -47.27 84.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.025 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.04 -39.42 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.912 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.0 t -62.15 -54.77 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.767 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 1.8 m-20 -57.8 -35.22 70.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.386 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.514 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 63.9 mt-10 -71.39 -24.46 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.365 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.912 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -78.02 -32.89 51.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.837 -179.398 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.4 mt -86.82 -16.34 36.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.514 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 12.6 mt-30 -54.22 -45.96 72.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.928 0.394 . . . . 0.0 110.715 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -27.96 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.168 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.988 0.423 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.66 72.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.874 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -38.8 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.799 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.97 -36.52 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -72.89 -40.71 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.75 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.13 -51.97 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 44.1 mtt180 -57.3 -31.13 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -82.44 -45.98 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.737 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -52.21 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.223 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.79 -36.95 84.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -66.1 -40.61 90.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.026 0.441 . . . . 0.0 110.386 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 473' ' ' LEU . 1.2 tm? -72.6 -46.28 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.819 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -27.0 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.505 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -70.27 -47.85 59.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.496 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -64.99 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.978 0.418 . . . . 0.0 110.087 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.548 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -57.4 -34.08 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.379 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 98.1 m -59.15 -46.64 87.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.01 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.64 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.25 -29.79 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.291 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.2 mt -60.81 -42.72 98.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.172 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.711 ' O ' HG23 ' A' ' 483' ' ' VAL . 83.5 mm-40 -87.19 -13.13 44.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.468 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -32.15 -54.83 0.31 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.8 t 45.67 96.91 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.853 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 11.7 Cg_exo -71.12 132.35 23.86 Favored 'Cis proline' 0 C--N 1.349 0.567 0 C-N-CA 123.746 -1.356 . . . . 0.0 111.922 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 484' ' ' PRO . 4.1 Cg_exo -79.2 160.39 26.41 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.549 2.166 . . . . 0.0 112.185 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.747 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.4 OUTLIER -112.58 81.08 3.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.97 -27.51 4.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.739 2.292 . . . . 0.0 112.981 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 488' ' ' ARG . . . . . 0.483 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -90.32 -21.08 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.479 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.483 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 10.1 t-160 -88.22 -37.77 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.1 m -62.92 -44.31 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.67 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.676 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.51 -28.57 55.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.914 0.388 . . . . 0.0 110.601 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 19.6 t30 -67.57 -51.21 53.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.742 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.496 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.64 -32.42 63.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 498' ' ' VAL . 2.8 mm? -61.81 -51.77 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 0.1 OUTLIER -55.68 -29.53 59.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.256 -179.525 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 493' ' ' MET . 8.1 mtpt -74.28 -48.92 25.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.1 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.425 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -62.75 -33.66 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.708 179.394 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 494' ' ' LEU . 91.8 t -65.11 -50.64 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.41 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -28.15 20.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -44.21 90.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.209 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -58.94 -43.04 91.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.598 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.84 -39.2 88.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.49 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.75 -34.08 71.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.427 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.526 ' HA ' HD13 ' A' ' 537' ' ' ILE . 13.6 ttt85 -58.85 -39.18 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.482 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -63.85 -32.64 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.607 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -38.57 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.437 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.402 HG21 ' HB2' ' A' ' 534' ' ' LEU . 31.8 m -61.85 -39.1 90.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.443 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -70.59 -39.73 73.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.34 179.615 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -72.6 -37.73 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.472 ' O ' HG12 ' A' ' 515' ' ' VAL . 5.9 m80 -59.78 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -59.08 -53.43 58.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.56 -28.89 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.233 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -67.91 -61.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.655 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.014 HG11 HD11 ' A' ' 526' ' ' ILE . 12.7 p -61.71 -21.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -28.49 62.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.878 0.371 . . . . 0.0 110.976 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 517' ' ' MET . . . . . 0.406 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.3 OUTLIER -79.36 -47.13 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 519' ' ' ASP . 13.7 m -79.52 -43.75 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.397 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 522' ' ' LYS . 14.4 m-20 -134.85 80.5 49.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.41 -53.17 5.02 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.343 2.029 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -58.6 -49.53 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 519' ' ' ASP . 0.0 OUTLIER -62.47 -36.85 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.528 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -55.6 -31.67 62.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.404 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -76.96 -30.84 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -74.31 -27.0 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.014 HD11 HG11 ' A' ' 515' ' ' VAL . 25.6 pt -91.28 -11.99 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.653 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.489 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 13.9 mtp180 -41.17 -49.49 3.54 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.831 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.27 71.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.627 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -77.91 -50.71 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.195 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 61.8 t -62.72 -30.81 50.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.094 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 1.7 mmt -69.17 -50.68 45.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 529' ' ' GLN . 7.4 t -60.19 -31.73 70.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.527 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -59.97 -42.59 94.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.255 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 534' ' ' LEU . 1.7 tm? -62.76 -44.05 97.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.032 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -61.19 -44.62 97.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.628 HG13 ' HG3' ' A' ' 540' ' ' ARG . 37.7 t -52.55 -40.32 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.691 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -55.47 -53.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.621 179.601 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 538' ' ' TYR . . . . . 0.433 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.67 -41.93 52.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.129 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -60.25 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.628 ' HG3' HG13 ' A' ' 536' ' ' VAL . 40.6 mtp85 -56.85 -36.78 70.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.73 -35.02 68.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.24 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.22 -31.11 68.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.85 -39.98 94.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.408 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 t -61.43 -42.96 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.368 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 549' ' ' TYR . 18.2 mt -68.44 -25.77 65.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.773 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.436 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 31.8 t -76.91 -39.82 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.122 0.487 . . . . 0.0 110.192 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 544' ' ' SER . 37.7 mt -59.93 -36.26 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.382 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.951 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.65 -29.67 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.008 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.894 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -54.66 -24.15 20.49 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -46.79 -29.61 2.03 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.174 0.511 . . . . 0.0 109.923 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.461 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.1 t -104.83 77.13 0.32 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.792 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.69 -27.42 5.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.715 2.277 . . . . 0.0 112.405 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.74 -53.87 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.461 ' H ' HG12 ' A' ' 551' ' ' VAL . 78.0 t -75.32 -42.64 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.664 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.63 -34.99 40.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.593 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.69 -50.94 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.06 -44.63 94.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.6 pp -69.86 -38.5 75.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.506 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.0 mm-40 -60.5 -41.56 94.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 111.147 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -50.33 74.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.67 -34.35 60.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.399 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.95 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.0 t -65.08 -56.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.66 -29.84 64.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 32.6 mt-10 -77.48 -23.2 50.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.212 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -80.83 -34.17 34.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.514 -179.545 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.442 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.5 mt -86.81 -17.67 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.7 pt20 -61.06 -52.98 62.65 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.139 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.94 -52.39 65.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.418 ' CG ' ' HA ' ' A' ' 566' ' ' LEU . 24.4 pt-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.032 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.039 0.447 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.61 72.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.1 mtp -67.95 -42.84 80.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 29.4 mt -58.8 -40.4 83.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -65.24 -43.0 92.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.99 -48.36 80.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.709 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -58.04 -31.59 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -83.43 -46.16 12.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -50.75 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.87 -39.92 95.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.26 -39.59 92.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.087 0.47 . . . . 0.0 110.136 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.77 HD23 ' CE2' ' A' ' 497' ' ' TYR . 0.2 OUTLIER -70.22 -52.75 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.652 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.82 -25.23 66.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.187 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 475' ' ' ASN . . . . . 0.433 ' HB3' ' HG2' ' A' ' 493' ' ' MET . 1.1 m120 -68.49 -50.82 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.542 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.737 ' HE2' HD22 ' A' ' 473' ' ' LEU . 0.7 OUTLIER -70.23 -33.77 72.06 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.935 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.672 HD13 HD12 ' A' ' 480' ' ' LEU . 20.4 mm -60.07 -33.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.894 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 77.2 m -67.11 -46.45 74.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.671 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 482' ' ' ALA . . . -62.95 -28.04 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.129 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.672 HD12 HD13 ' A' ' 477' ' ' ILE . 11.8 mt -59.68 -45.84 90.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.81 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.8 mp0 -87.21 -11.73 48.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.578 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -29.22 -51.84 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 481' ' ' GLN . 62.7 t 47.04 95.57 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.512 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 71.0 Cg_endo -74.31 133.65 32.05 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.519 -1.45 . . . . 0.0 112.15 -0.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 78.6 Cg_endo -77.65 156.98 31.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.327 2.018 . . . . 0.0 112.245 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.924 ' O ' HG13 ' A' ' 490' ' ' VAL . 8.6 mtt85 -113.75 79.46 4.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.035 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.421 ' O ' HG22 ' A' ' 490' ' ' VAL . 75.2 Cg_exo -49.05 -28.59 14.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.45 2.1 . . . . 0.0 112.439 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -23.68 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 14.7 t-160 -87.75 -38.06 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.924 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.5 m -62.39 -36.36 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.712 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.529 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -58.39 -30.36 66.77 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.169 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.12 -45.92 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 475' ' ' ASN . 0.0 OUTLIER -59.29 -36.98 76.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.536 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 490' ' ' VAL . 4.0 mm? -58.2 -47.18 84.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.051 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.694 ' CD ' HD13 ' A' ' 565' ' ' LEU . 11.9 mtpt -49.34 -44.3 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.959 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 496' ' ' LYS . 0.3 OUTLIER -64.07 -47.06 81.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.77 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -66.74 -36.05 81.54 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 494' ' ' LEU . 75.5 t -70.21 -48.58 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.287 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -24.36 65.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.286 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.13 -37.07 72.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.36 -47.78 82.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.016 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -54.99 -35.59 64.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -69.06 -24.81 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.441 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -78.73 -37.34 41.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.379 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.438 ' HA ' HD13 ' A' ' 537' ' ' ILE . 12.1 ttt180 -59.22 -54.83 42.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.056 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -29.24 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.984 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -68.47 -34.87 76.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.771 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.54 HG22 HG12 ' A' ' 530' ' ' VAL . 47.8 m -58.21 -42.44 86.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.163 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -56.08 -53.7 53.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 179.168 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -56.67 -37.41 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.591 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.2 OUTLIER -57.36 -41.87 80.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.515 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.757 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.1 OUTLIER -54.07 -50.12 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.302 179.216 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.13 -32.86 61.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -57.37 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.994 HG11 HD11 ' A' ' 526' ' ' ILE . 11.8 p -62.32 -23.85 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.841 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.76 -23.26 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 13.3 mtm -83.2 -27.2 30.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.153 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 2.7 m -107.46 -39.82 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.17 70.39 78.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.99 -49.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.522 2.148 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -53.25 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.716 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -62.14 -36.33 81.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.07 -32.82 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.62 53.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -77.69 -24.99 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.994 HD11 HG11 ' A' ' 515' ' ' VAL . 31.0 pt -88.81 -8.07 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.878 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.544 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.55 -45.05 3.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.5 m -71.78 -30.2 65.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.801 ' O ' HG22 ' A' ' 532' ' ' THR . 0.4 OUTLIER -73.01 -44.79 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.428 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.757 HG11 ' CD2' ' A' ' 512' ' ' PHE . 11.7 t -58.6 -32.97 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.22 0.533 . . . . 0.0 110.427 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.588 ' HA ' HD12 ' A' ' 534' ' ' LEU . 5.9 mmt -63.34 -55.65 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.436 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.0 t -54.6 -26.43 32.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.278 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -50.79 72.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.196 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -59.61 -42.57 92.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.19 0.519 . . . . 0.0 109.945 179.144 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.419 ' H ' ' HG3' ' A' ' 535' ' ' ARG . 2.7 mtp-105 -61.6 -41.1 96.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.042 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 532' ' ' THR . 39.5 t -56.66 -38.32 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.588 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -55.84 -53.06 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.19 179.363 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.15 -46.73 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.71 -48.86 76.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.634 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.524 ' CG ' HG13 ' A' ' 536' ' ' VAL . 30.4 mmt-85 -59.23 -32.48 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.4 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.413 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 27.4 ttm -57.44 -37.02 72.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.027 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -68.44 -33.74 74.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.229 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -41.41 96.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.532 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.487 ' HB2' HD21 ' A' ' 473' ' ' LEU . 4.2 t -60.16 -44.02 95.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.409 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.434 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 51.1 mt -56.38 -31.78 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 2.3 m -70.6 -43.28 69.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.452 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.9 mt -60.7 -38.5 85.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.8 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.935 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -86.16 -29.64 23.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.212 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.908 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.0 OUTLIER -59.03 -20.82 56.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.746 0.308 . . . . 0.0 110.327 178.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -46.29 -29.64 1.72 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.962 0.41 . . . . 0.0 110.311 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.2 t -104.07 78.08 0.31 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.185 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -47.82 -27.39 8.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.608 2.205 . . . . 0.0 112.322 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 556' ' ' GLU . . . -71.17 -49.49 43.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.419 ' H ' HG12 ' A' ' 551' ' ' VAL . 91.9 t -81.56 -42.93 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.634 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.57 -36.15 55.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.93 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 553' ' ' ALA . 0.0 OUTLIER -75.48 -37.92 59.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.372 -179.509 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.67 -44.15 62.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.11 0.481 . . . . 0.0 110.145 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.488 HG21 HG21 ' A' ' 490' ' ' VAL . 2.6 pp -69.44 -35.59 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.2 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.6 mm-40 -60.37 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.367 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.55 -54.29 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.702 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.4 -35.8 71.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.289 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.529 HG23 ' HB2' ' A' ' 491' ' ' PHE . 3.1 t -63.69 -56.48 16.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.301 . . . . 0.0 110.348 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -50.87 -32.41 20.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.223 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 10.5 mt-10 -68.88 -26.58 65.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.237 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.694 HD13 ' CD ' ' A' ' 495' ' ' LYS . 0.5 OUTLIER -74.8 -38.42 62.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 111.527 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.2 mp -79.31 -16.87 55.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.532 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 13.8 mt-30 -56.06 -48.98 75.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.632 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -84.03 -32.05 25.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.486 179.75 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.02 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.687 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 5.0 mmm -67.26 -43.58 81.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.36 -34.8 79.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.17 -30.67 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.32 -58.45 6.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 3.0 ptm180 -57.25 -30.26 64.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.676 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 469' ' ' ARG . . . . . 0.424 ' HG3' ' HG2' ' A' ' 501' ' ' GLU . 0.1 OUTLIER -78.35 -50.08 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.655 179.736 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -60.32 3.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 0.0 110.246 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.522 HD12 ' OD1' ' A' ' 475' ' ' ASN . 0.4 OUTLIER -53.19 -32.39 47.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.643 179.691 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -68.93 -49.98 53.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.628 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -68.79 -38.55 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.975 179.365 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.23 -25.06 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 475' ' ' ASN . . . . . 0.522 ' OD1' HD12 ' A' ' 471' ' ' LEU . 1.9 m120 -69.62 -51.24 36.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.19 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.469 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.4 OUTLIER -63.84 -36.65 84.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.11 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 15.2 mm -57.02 -34.28 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.332 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 83.8 m -66.99 -46.45 74.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -61.08 -27.81 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.189 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.8 mt -59.44 -50.95 71.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.408 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.667 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.3 mp0 -80.79 -12.79 59.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.759 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.63 -52.51 0.68 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.8 t 45.72 96.76 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.751 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.31 134.49 28.82 Favored 'Cis proline' 0 C--N 1.348 0.525 0 C-N-CA 123.538 -1.443 . . . . 0.0 112.006 -0.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 93.4 Cg_endo -86.49 155.13 9.18 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.524 2.149 . . . . 0.0 112.493 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.906 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.4 mtm-85 -105.7 76.38 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 490' ' ' VAL . 10.2 Cg_endo -53.26 -23.91 24.9 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.645 2.23 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.93 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.422 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.4 t-160 -87.95 -35.96 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.906 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.1 m -64.11 -34.96 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.502 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.484 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -60.65 -28.77 68.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.121 179.515 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 6.7 t30 -68.66 -55.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -52.01 -28.73 18.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.851 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.9 mm? -63.48 -54.57 34.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 11.9 ptmt -55.2 -26.18 37.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.005 179.228 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.402 ' OH ' ' HA ' ' A' ' 541' ' ' MET . 0.0 OUTLIER -59.26 -27.88 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.923 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 494' ' ' LEU . 75.1 t -73.09 -55.44 12.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.287 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -28.16 9.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.958 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.52 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.791 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.424 ' HG2' ' HG3' ' A' ' 469' ' ' ARG . 2.6 mt-10 -61.33 -44.83 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.493 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -55.9 -43.15 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.74 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.677 ' HA ' HD13 ' A' ' 537' ' ' ILE . 3.9 ttp180 -59.02 -39.59 82.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.666 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -31.96 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -32.43 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 533' ' ' HIS . 91.2 m -67.15 -31.9 72.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.588 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -68.96 -40.04 79.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.202 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -59.55 -41.36 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.788 ' O ' HG12 ' A' ' 515' ' ' VAL . 8.5 m80 -60.01 -42.52 94.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.97 -47.83 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.971 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -81.54 -39.33 24.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 514' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 518' ' ' VAL . 2.5 t-160 -63.53 -55.64 22.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 526' ' ' ILE . 8.5 p -65.01 -28.49 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.264 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.53 -23.53 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 68.7 mtm -89.86 -15.35 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 514' ' ' HIS . 21.8 m -116.37 -46.2 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 111.512 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 518' ' ' VAL . 29.1 m-20 -125.25 74.02 67.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.291 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.45 -31.66 88.19 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.645 2.23 . . . . 0.0 112.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.24 -57.08 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.554 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -75.05 -27.11 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -55.08 -39.6 69.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.419 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -72.52 -31.01 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -76.23 -28.85 57.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.054 HD11 HG11 ' A' ' 515' ' ' VAL . 36.2 pt -85.43 -17.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.503 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 20.9 mtp180 -40.99 -52.37 3.14 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.666 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -36.06 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.896 0.379 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.768 ' O ' HG22 ' A' ' 532' ' ' THR . 0.6 OUTLIER -74.58 -38.44 62.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.242 179.769 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 526' ' ' ILE . 21.9 t -69.62 -34.51 61.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.442 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.617 ' HA ' HD12 ' A' ' 534' ' ' LEU . 9.8 mmt -64.28 -41.25 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.46 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 529' ' ' GLN . 11.5 t -68.49 -26.21 65.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.747 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -62.6 -39.85 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.52 -53.96 19.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.184 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.517 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 9.2 ptm180 -63.63 -29.53 70.76 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.235 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -64.25 -37.22 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -57.93 -53.16 49.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.99 179.112 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 538' ' ' TYR . . . . . 0.405 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.7 OUTLIER -72.9 -46.29 53.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.658 179.676 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -56.3 -47.46 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -58.1 -33.21 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.445 ' HB2' ' HE3' ' A' ' 541' ' ' MET . 21.5 ttm -58.25 -35.9 72.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.96 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 542' ' ' ASN . . . . . 0.522 ' HA ' HD12 ' A' ' 545' ' ' LEU . 18.4 m120 -69.27 -31.85 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.305 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.28 -43.52 97.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.624 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.602 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.5 t -61.32 -39.23 89.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 542' ' ' ASN . 48.0 mt -61.1 -29.67 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.679 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.7 OUTLIER -70.95 -34.27 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 544' ' ' SER . 27.7 mt -62.84 -37.32 86.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.49 -33.12 19.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.047 179.483 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.943 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.3 m-85 -53.52 -23.99 12.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 81.2 m-20 -48.05 -28.59 2.92 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.108 0.48 . . . . 0.0 110.061 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.16 76.41 0.31 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.899 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 552' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 4.0 Cg_endo -47.48 -28.5 8.83 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.31 -48.55 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.3 t -82.92 -42.05 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.865 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.88 -36.24 47.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.108 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.77 -42.04 58.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.88 -42.86 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.115 0.483 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.427 HD11 HD11 ' A' ' 548' ' ' LEU . 2.3 pp -71.44 -36.17 59.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.749 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -63.71 -45.89 87.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.807 0.337 . . . . 0.0 111.133 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -44.67 85.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.84 -41.28 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.836 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.7 t -61.29 -53.76 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.696 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -34.84 70.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 30.7 mt-10 -70.29 -24.37 63.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -75.95 -35.24 59.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.909 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.8 mp -86.7 -16.2 37.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.533 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 14.7 mt-30 -52.97 -47.1 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -77.66 -32.78 53.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.635 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.616 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 465' ' ' LEU . 5.9 mt-10 . . . . . 0 N--CA 1.46 0.063 0 CA-C-O 121.049 0.452 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.5 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.648 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.1 mmm -67.26 -36.27 81.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 462' ' ' GLU . 4.0 mt -64.84 -45.28 86.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.767 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -62.53 -36.06 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.38 -48.46 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -57.07 -34.93 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -82.28 -45.12 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.668 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.89 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.17 -39.77 91.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.602 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.73 -40.52 92.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.037 0.446 . . . . 0.0 110.184 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 544' ' ' SER . 0.6 OUTLIER -70.07 -50.93 36.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.812 179.078 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -26.75 68.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.632 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -71.08 -49.11 48.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.383 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.679 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -69.62 -30.57 68.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.226 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.855 HD13 HD12 ' A' ' 480' ' ' LEU . 19.2 mm -63.48 -33.64 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.031 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 66.9 m -60.84 -45.22 95.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -66.42 -26.05 67.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.855 HD12 HD13 ' A' ' 477' ' ' ILE . 9.9 mt -64.45 -41.74 96.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.26 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 483' ' ' VAL . 72.6 mm-40 -84.5 -13.93 50.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.701 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -36.89 -55.5 0.9 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.0 t 44.82 95.75 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.903 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.46 134.54 27.27 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.0 -0.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 85.1 Cg_endo -82.76 167.62 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.38 2.053 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.599 ' O ' HG13 ' A' ' 490' ' ' VAL . 29.3 mtt180 -112.11 78.11 2.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.434 ' O ' HG22 ' A' ' 558' ' ' ILE . 84.5 Cg_exo -46.29 -27.26 4.59 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.475 2.117 . . . . 0.0 112.721 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 488' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -88.4 -21.87 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.578 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.487 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 2.4 t-160 -88.14 -37.79 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.749 ' O ' HD23 ' A' ' 494' ' ' LEU . 5.9 m -64.27 -39.26 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.866 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.805 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.54 -27.3 69.16 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' A' ' 496' ' ' LYS . 20.1 t-20 -65.26 -59.56 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.432 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -51.72 -29.67 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.943 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.9 mm? -62.3 -49.55 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 6.8 ptmt -60.46 -29.24 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.701 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -79.96 -44.52 20.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.031 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.55 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -62.73 -35.31 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.521 179.065 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 494' ' ' LEU . 77.3 t -67.05 -47.85 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.398 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -26.06 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.611 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.87 -40.26 72.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.09 -42.78 99.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.1 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -57.41 -35.73 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.456 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.97 -38.44 88.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.16 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -73.76 -39.13 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.335 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.598 ' HA ' HD13 ' A' ' 537' ' ' ILE . 14.6 ttm180 -59.9 -54.35 47.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.244 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -61.26 -27.81 68.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.83 79.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.195 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.0 m -60.19 -48.2 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.097 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 1.0 OUTLIER -56.96 -52.13 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.496 179.29 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.24 -43.24 92.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.043 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.567 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.2 OUTLIER -57.17 -45.24 83.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.866 0.365 . . . . 0.0 110.76 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.553 ' CD1' HG11 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -56.87 -46.41 81.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.056 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -45.42 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 514' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 518' ' ' VAL . 0.3 OUTLIER -57.91 -52.0 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.06 HG11 HD11 ' A' ' 526' ' ' ILE . 10.3 p -62.97 -24.21 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.206 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 516' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 12.4 ttm105 -76.36 -23.25 54.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.181 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 10.9 mtp -87.27 -21.4 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.407 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 519' ' ' ASP . 14.2 m -114.14 -44.67 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 111.504 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.42 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.2 m-20 -122.65 77.64 47.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.45 -55.29 2.22 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.92 -50.85 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.635 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -39.08 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.65 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.521 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -56.46 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.274 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.17 60.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -40.09 51.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.107 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.06 HD11 HG11 ' A' ' 515' ' ' VAL . 38.7 pt -71.92 -17.73 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.587 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.497 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 3.8 mtp180 -40.66 -45.68 2.42 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 57.8 m -73.14 -32.55 64.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.59 ' O ' HG22 ' A' ' 532' ' ' THR . 1.0 OUTLIER -78.68 -50.19 11.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.432 -179.732 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.553 HG11 ' CD1' ' A' ' 512' ' ' PHE . 39.3 t -61.02 -31.18 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.2 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 10.6 mmt -68.46 -52.27 34.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 536' ' ' VAL . 11.9 t -61.21 -32.85 72.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.987 0.422 . . . . 0.0 110.217 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.555 ' O ' HD12 ' A' ' 537' ' ' ILE . 2.3 t60 -58.56 -39.47 80.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.312 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.54 HD21 ' HG2' ' A' ' 505' ' ' ARG . 1.0 OUTLIER -67.73 -48.57 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.189 179.356 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.46 -36.77 81.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 532' ' ' THR . 45.8 t -58.59 -39.74 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.364 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.598 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.4 OUTLIER -54.76 -54.46 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.379 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 538' ' ' TYR . . . . . 0.44 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.07 -43.28 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.096 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -58.99 -54.7 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.506 ' CG ' HG13 ' A' ' 536' ' ' VAL . 14.0 mmm180 -54.73 -37.5 65.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.688 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.651 ' HE1' HG22 ' A' ' 498' ' ' VAL . 7.7 ttm -56.08 -35.06 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -71.37 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.1 -41.44 74.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.911 ' HA ' HD12 ' A' ' 547' ' ' LEU . 5.5 m -60.41 -37.59 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.77 -53.86 50.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 m -50.36 -34.8 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.42 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.911 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.3 mt -62.51 -41.85 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.646 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.928 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -83.64 -31.74 26.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.928 ' N ' HD13 ' A' ' 548' ' ' LEU . 5.1 m-85 -55.95 -22.75 28.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.205 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -47.53 -29.46 2.82 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.105 0.479 . . . . 0.0 109.913 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.0 t -104.72 77.68 0.33 Allowed Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.914 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.32 -28.29 5.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.778 2.319 . . . . 0.0 112.467 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.87 -54.13 12.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 551' ' ' VAL . 84.4 t -75.07 -43.21 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.875 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.55 -36.43 45.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.735 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.2 -50.13 20.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.505 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -71.52 -39.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.85 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.488 ' N ' HD12 ' A' ' 558' ' ' ILE . 8.9 mm-40 -60.71 -41.96 96.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 111.309 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.47 -50.99 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.74 -33.75 62.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.561 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.95 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.6 t -63.18 -53.92 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.153 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.98 -34.87 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.9 0.381 . . . . 0.0 110.565 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.474 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.0 mm-40 -73.33 -24.61 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.376 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -80.0 -31.5 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.495 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.421 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.75 -17.01 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 22.6 mt-30 -49.88 -41.02 44.69 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.085 0.469 . . . . 0.0 110.569 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -32.4 50.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.897 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.079 0.466 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.17 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.771 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 30.1 mtp -64.98 -41.85 95.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.752 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.94 -32.24 73.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.28 -40.94 74.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -53.32 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -87.5 -37.95 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.806 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -48.83 58.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.61 -36.71 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.402 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.25 86.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.832 HD23 ' CD2' ' A' ' 497' ' ' TYR . 0.5 OUTLIER -75.39 -45.54 38.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.928 179.148 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -28.13 68.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -71.03 -44.78 65.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.62 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.37 -37.82 83.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.97 0.414 . . . . 0.0 110.131 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.566 HD13 HD12 ' A' ' 480' ' ' LEU . 16.5 mm -57.32 -34.25 45.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.371 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.2 m -58.44 -46.67 86.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.982 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.522 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -63.76 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.31 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.2 mt -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.201 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 483' ' ' VAL . 86.4 mm-40 -85.28 -13.14 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.42 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.54 -55.45 0.68 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.929 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 481' ' ' GLN . 47.7 t 47.04 96.59 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.58 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 59.3 Cg_endo -71.96 134.97 35.77 Favored 'Cis proline' 0 C--N 1.348 0.541 0 C-N-CA 123.425 -1.49 . . . . 0.0 112.296 0.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -82.09 152.81 16.5 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.591 2.194 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.69 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.0 OUTLIER -102.57 81.18 0.36 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.808 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.442 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.2 Cg_endo -48.29 -25.96 7.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.764 2.31 . . . . 0.0 112.305 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 488' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 489' ' ' HIS . 0.1 OUTLIER -86.54 -24.45 25.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.167 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.466 ' O ' ' CE ' ' A' ' 493' ' ' MET . 2.2 t-160 -87.5 -36.09 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.97 -36.84 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.858 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.674 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -62.18 -22.93 66.3 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 20.9 t30 -73.51 -53.96 9.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -55.75 -30.75 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.627 179.647 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.7 mm? -63.4 -50.18 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.412 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.681 ' HB2' HD11 ' A' ' 565' ' ' LEU . 10.0 ptmt -59.27 -30.62 68.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -73.67 -44.54 56.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.344 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.832 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -66.52 -33.47 75.76 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 494' ' ' LEU . 85.2 t -66.01 -50.8 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.411 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -28.03 30.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.645 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.51 77.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.4 ' HG3' ' HA ' ' A' ' 498' ' ' VAL . 1.0 OUTLIER -61.55 -45.55 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.588 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -54.56 -45.29 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.749 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -32.0 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.619 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.19 -44.28 76.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.716 ' HA ' HD13 ' A' ' 537' ' ' ILE . 45.6 ttt180 -56.78 -48.77 77.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.668 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.43 -29.15 68.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.563 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -40.86 75.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 508' ' ' THR . . . . . 1.008 HG22 HG13 ' A' ' 530' ' ' VAL . 2.3 m -58.1 -38.16 75.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.492 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -57.8 -52.94 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.554 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -35.02 75.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -28.57 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.344 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.742 ' HB2' HG11 ' A' ' 530' ' ' VAL . 0.1 OUTLIER -84.65 -40.97 16.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 0.0 110.142 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -43.81 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.104 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.524 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.617 HG21 ' HD2' ' A' ' 522' ' ' LYS . 12.7 p -63.52 -22.97 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 516' ' ' ARG . . . . . 0.428 ' HA ' ' CB ' ' A' ' 523' ' ' ALA . 48.5 ttt180 -72.75 -24.07 60.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 5.1 mtp -87.73 -24.45 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.83 -41.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.675 0.274 . . . . 0.0 111.57 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.39 71.79 80.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.79 -23.07 74.37 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.193 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -64.47 -56.56 13.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.283 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.617 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -82.08 -29.28 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.467 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.55 -37.14 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.9 -32.32 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -75.87 -28.84 58.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.602 HD11 HG11 ' A' ' 515' ' ' VAL . 38.0 pt -84.59 -9.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.677 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.77 -44.96 6.99 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 66.5 m -72.85 -30.74 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.782 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -73.36 -45.63 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.391 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 1.008 HG13 HG22 ' A' ' 508' ' ' THR . 96.5 t -63.52 -33.98 64.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 0.0 110.136 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.429 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.0 mmt -61.15 -47.83 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.593 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 529' ' ' GLN . 11.9 t -64.57 -24.09 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.238 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.93 ' HB3' HG21 ' A' ' 508' ' ' THR . 1.0 OUTLIER -62.81 -38.62 91.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -64.94 -57.72 8.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.172 0.51 . . . . 0.0 109.816 179.013 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 535' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 532' ' ' THR . 10.2 ptm180 -61.07 -29.17 69.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.136 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -66.2 -38.2 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.051 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -55.93 -52.59 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.971 179.195 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.31 -46.44 41.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.81 -46.52 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.678 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -57.61 -40.26 78.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.661 ' HE1' HG13 ' A' ' 498' ' ' VAL . 14.7 ttm -53.21 -35.55 60.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.422 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -33.23 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -63.85 -36.73 84.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.583 ' OG ' HD21 ' A' ' 473' ' ' LEU . 10.2 t -65.65 -41.32 92.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.702 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.406 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 27.7 mt -61.89 -28.35 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 24.7 p -71.62 -39.97 70.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.075 0.465 . . . . 0.0 110.528 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 544' ' ' SER . 21.9 mt -63.21 -35.77 81.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.467 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.927 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -86.94 -31.74 20.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.774 179.34 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.904 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.3 m-85 -55.99 -22.83 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.09 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -47.2 -29.49 2.38 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.105 0.479 . . . . 0.0 109.91 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.8 t -104.58 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.792 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.35 -27.62 5.05 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.836 2.358 . . . . 0.0 112.506 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.9 -54.01 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 551' ' ' VAL . 92.5 t -75.0 -43.68 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.767 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.849 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.4 -37.85 50.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.763 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.97 -50.23 30.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.443 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.52 -44.74 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.541 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -70.37 -36.11 65.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.735 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -61.68 -43.98 97.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.817 0.342 . . . . 0.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.69 -48.38 81.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' GLU . . . . . 0.403 ' OE1' ' CD2' ' A' ' 491' ' ' PHE . 16.9 pt-20 -76.77 -38.07 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.515 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.8 t -62.43 -56.15 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.88 0.371 . . . . 0.0 110.651 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.37 -34.31 66.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.615 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.528 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 57.7 mt-10 -71.15 -23.73 62.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.323 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 495' ' ' LYS . 0.2 OUTLIER -79.29 -32.35 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.54 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.718 ' CD2' HG11 ' A' ' 498' ' ' VAL . 1.3 mt -86.54 -16.39 37.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.528 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 25.9 mt-30 -53.77 -46.33 70.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.951 0.405 . . . . 0.0 110.655 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -60.01 -51.73 68.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 569' ' ' GLU . . . . . 0.403 ' OE2' HD12 ' A' ' 565' ' ' LEU . 1.4 pt-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.577 ' HA ' HD12 ' A' ' 465' ' ' LEU . 8.2 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.996 0.427 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.91 71.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.77 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.6 mmm -68.29 -39.08 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 462' ' ' GLU . 11.7 mt -62.49 -33.78 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -74.7 -34.97 62.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -55.59 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 468' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 7.1 ptm180 -58.37 -27.14 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -85.64 -40.19 16.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -54.9 22.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.36 -35.83 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.274 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -63.45 -42.18 98.64 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.042 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.855 HD23 ' CD1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -69.25 -46.62 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.907 179.165 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -27.45 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.5 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -70.9 -48.56 53.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.247 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -65.72 -30.46 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.578 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 16.6 mm -64.99 -34.32 69.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.5 m -62.86 -46.8 86.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.919 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -61.46 -29.72 70.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.1 mt -59.01 -46.52 88.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.377 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.809 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.7 mp0 -85.93 -10.88 54.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.48 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -28.39 -51.6 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 481' ' ' GLN . 52.7 t 43.27 97.49 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.886 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 8.1 Cg_exo -72.41 134.54 34.62 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.753 -1.353 . . . . 0.0 112.052 -0.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -80.76 153.89 20.05 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.256 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.76 ' O ' HG13 ' A' ' 490' ' ' VAL . 15.6 mtt180 -112.72 79.67 3.38 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.494 ' HA ' HG22 ' A' ' 490' ' ' VAL . 86.0 Cg_exo -45.87 -25.44 2.67 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.819 2.346 . . . . 0.0 112.985 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -27.18 22.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.72 0.295 . . . . 0.0 111.309 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.412 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.6 t-80 -86.53 -36.88 18.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.0 m -63.6 -39.22 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.627 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.515 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -57.37 -28.89 63.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.887 0.375 . . . . 0.0 110.168 179.476 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -69.45 -45.25 69.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.441 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -58.14 -36.37 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.482 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.5 mm? -58.64 -46.2 87.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 109.971 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.683 ' CD ' HD13 ' A' ' 565' ' ' LEU . 13.1 mtpt -49.48 -46.05 47.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.913 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -48.84 79.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.855 ' CD1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.91 -31.57 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 109.983 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 494' ' ' LEU . 86.8 t -73.02 -46.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.617 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -24.53 61.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.48 -41.85 60.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.407 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 1.8 mt-10 -60.08 -50.08 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -53.26 -40.71 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.459 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 504' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.752 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.644 ' HD3' HG21 ' A' ' 537' ' ' ILE . 22.4 mtm105 -58.42 -50.73 72.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 110.085 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -56.42 -26.75 54.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.602 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -32.98 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.379 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.521 ' CG2' HG13 ' A' ' 530' ' ' VAL . 91.0 m -63.53 -53.4 52.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.7 mp -57.7 -38.6 75.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.642 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.61 -44.76 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.688 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.759 ' O ' HG12 ' A' ' 515' ' ' VAL . 3.7 m-70 -59.19 -44.75 92.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.783 ' HD1' HG21 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -51.42 -46.5 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -78.17 -44.89 24.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.318 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' HIS . . . . . 0.517 ' HA ' ' HE3' ' A' ' 517' ' ' MET . 2.3 t-80 -60.7 -53.67 54.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.862 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 0.77 HG11 ' CD1' ' A' ' 526' ' ' ILE . 9.2 p -61.52 -29.01 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -68.37 -23.59 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' MET . . . . . 0.517 ' HE3' ' HA ' ' A' ' 514' ' ' HIS . 1.0 OUTLIER -87.02 -48.45 8.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 110.452 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 519' ' ' ASP . 18.9 m -77.05 -46.02 29.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.392 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.9 t0 -129.15 79.36 74.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -46.93 29.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.607 2.205 . . . . 0.0 112.377 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -59.69 -53.3 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 522' ' ' LYS . . . . . 0.414 ' HA ' ' HG3' ' A' ' 525' ' ' GLN . 0.0 OUTLIER -58.96 -39.31 81.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 515' ' ' VAL . . . -54.79 -32.95 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.53 -31.16 53.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 525' ' ' GLN . . . . . 0.414 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 5.4 mt-30 -75.81 -23.88 55.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.77 ' CD1' HG11 ' A' ' 515' ' ' VAL . 38.9 pt -88.39 -6.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.748 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.451 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -40.88 -45.61 2.56 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.841 0.353 . . . . 0.0 111.449 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -32.27 40.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.776 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -70.12 -46.3 65.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.783 HG21 ' HD1' ' A' ' 512' ' ' PHE . 63.7 t -62.87 -35.18 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.273 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.588 ' HA ' HD12 ' A' ' 534' ' ' LEU . 11.2 mmt -63.26 -49.73 72.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.48 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.776 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.6 t -60.37 -25.31 65.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.051 0.453 . . . . 0.0 110.197 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.576 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -59.53 -49.24 78.53 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.3 179.496 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.5 OUTLIER -60.4 -44.32 95.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.105 0.479 . . . . 0.0 110.178 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -40.63 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 532' ' ' THR . 17.6 t -55.84 -39.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.715 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.644 HG21 ' HD3' ' A' ' 505' ' ' ARG . 0.9 OUTLIER -56.52 -56.47 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.83 -36.71 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.375 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.37 -53.96 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -57.74 -32.98 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.431 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.408 ' HA ' ' HH ' ' A' ' 497' ' ' TYR . 28.0 ttm -58.77 -35.35 72.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.169 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 542' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 545' ' ' LEU . 25.4 m-20 -71.32 -30.33 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.86 -35.33 80.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.743 ' HA ' HD12 ' A' ' 547' ' ' LEU . 32.8 t -68.1 -42.02 80.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 542' ' ' ASN . 16.7 mt -59.04 -31.74 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.59 -37.94 62.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.125 0.488 . . . . 0.0 110.363 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 544' ' ' SER . 17.5 mt -63.23 -35.69 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.322 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.92 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.56 -32.25 19.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.036 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.916 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.2 m-85 -55.77 -22.96 26.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.165 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.41 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 89.6 m-20 -47.49 -29.0 2.44 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.095 0.474 . . . . 0.0 110.172 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.4 t -105.55 75.85 0.32 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.854 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 552' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 3.7 Cg_endo -46.96 -28.29 6.94 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 553' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 556' ' ' GLU . . . -69.38 -48.06 62.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 551' ' ' VAL . 88.4 t -83.36 -42.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.077 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.868 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.46 -36.38 43.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 17.6 pt-20 -74.4 -47.96 30.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.6 -46.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.46 . . . . 0.0 110.546 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.445 HG21 HG21 ' A' ' 490' ' ' VAL . 2.3 pp -67.34 -36.57 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.612 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.39 -37.93 79.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 111.138 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -54.72 30.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.81 -31.96 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.409 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.515 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.7 t -65.23 -57.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.361 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -51.21 -33.58 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.0 110.193 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 13.4 mt-10 -67.18 -27.23 67.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.092 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.683 HD13 ' CD ' ' A' ' 495' ' ' LYS . 0.5 OUTLIER -73.92 -36.55 64.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.587 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 566' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.3 mp -82.18 -15.51 52.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 5.0 mm-40 -52.4 -46.71 66.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.149 0.499 . . . . 0.0 110.476 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.81 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.984 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 121.007 0.432 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.82 73.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.558 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 17.0 mtp -71.93 -50.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.02 -34.43 63.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.445 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 470' ' ' ARG . 0.7 OUTLIER -59.22 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.267 179.396 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 467' ' ' ASP . . . . . 0.424 ' O ' HD23 ' A' ' 471' ' ' LEU . 3.2 t0 -53.95 -31.76 51.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -63.5 -35.79 81.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 469' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' A' ' 497' ' ' TYR . 30.4 ttm180 -80.21 -44.1 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.26 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 466' ' ' ASN . 4.0 mtt-85 -61.27 -53.67 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.362 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 471' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 472' ' ' ALA . 0.6 OUTLIER -60.48 -39.29 87.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.428 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -70.04 -35.82 74.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.39 . . . . 0.0 110.451 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.4 OUTLIER -74.89 -47.91 27.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.864 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.42 -26.78 68.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.555 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 475' ' ' ASN . . . . . 0.417 ' OD1' HD12 ' A' ' 471' ' ' LEU . 1.4 m120 -70.15 -47.07 63.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 476' ' ' TYR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -69.07 -37.5 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.001 0.429 . . . . 0.0 109.934 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.623 HD13 HD12 ' A' ' 480' ' ' LEU . 20.0 mm -59.07 -33.51 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.305 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 87.4 m -61.4 -46.31 90.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.772 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -62.59 -29.27 70.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.216 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 480' ' ' LEU . . . . . 0.623 HD12 HD13 ' A' ' 477' ' ' ILE . 9.2 mt -61.08 -50.9 71.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.363 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 481' ' ' GLN . . . . . 0.817 ' O ' HG23 ' A' ' 483' ' ' VAL . 9.0 mp0 -87.15 -11.36 50.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 482' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -29.47 -51.38 0.11 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 483' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.0 t 46.99 95.36 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.47 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 484' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 59.7 Cg_endo -72.13 134.28 33.01 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.44 -1.483 . . . . 0.0 112.188 -0.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 485' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 89.3 Cg_endo -83.19 157.03 14.94 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.354 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.907 ' O ' HG13 ' A' ' 490' ' ' VAL . 6.3 mmt180 -114.65 79.88 5.94 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 487' ' ' PRO . . . . . 0.623 ' O ' HG22 ' A' ' 558' ' ' ILE . 72.7 Cg_exo -49.04 -26.19 10.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.561 2.174 . . . . 0.0 112.645 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -22.53 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 489' ' ' HIS . . . . . 0.41 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.1 t-160 -87.75 -36.08 17.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.907 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.6 m -63.93 -42.89 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.302 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 491' ' ' PHE . . . . . 0.723 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.42 -29.05 33.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.042 0.448 . . . . 0.0 110.224 179.339 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 492' ' ' ASN . . . . . 0.442 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 52.1 t30 -68.3 -52.63 31.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.365 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 493' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -54.33 -30.17 50.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.682 179.605 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 494' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.2 mm? -61.43 -52.63 63.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 495' ' ' LYS . . . . . 0.539 ' CB ' HD11 ' A' ' 565' ' ' LEU . 12.3 ptmt -57.81 -26.77 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.103 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 496' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 499' ' ' ARG . 0.0 OUTLIER -76.18 -43.53 42.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 109.898 179.203 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 497' ' ' TYR . . . . . 0.673 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -68.92 -31.08 69.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.08 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 498' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 494' ' ' LEU . 58.3 t -71.32 -53.08 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 499' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -54.71 -26.74 35.79 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.438 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.442 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' ' HE2' ' A' ' 541' ' ' MET . 0.9 OUTLIER -59.08 -49.41 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.42 179.505 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -54.73 -37.34 65.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -63.04 -35.45 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -68.94 -40.32 79.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.599 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.3 ttm-85 -57.62 -44.8 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.96 -27.93 67.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.616 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -31.91 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.456 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 508' ' ' THR . . . . . 0.721 HG21 ' HB3' ' A' ' 533' ' ' HIS . 88.3 m -69.76 -36.45 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 509' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -63.87 -40.5 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.208 179.595 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -57.09 -46.21 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.73 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.829 ' O ' HG12 ' A' ' 515' ' ' VAL . 61.9 m80 -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.66 -51.58 47.76 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.221 0.534 . . . . 0.0 110.544 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.32 -34.52 48.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.183 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -58.17 6.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.688 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 515' ' ' VAL . . . . . 1.064 HG11 HD11 ' A' ' 526' ' ' ILE . 12.3 p -61.17 -26.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.44 -23.06 58.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 60.7 mtm -88.03 -20.0 26.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.578 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 518' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 519' ' ' ASP . 15.5 m -114.78 -45.49 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.185 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 519' ' ' ASP . . . . . 0.448 ' N ' HG23 ' A' ' 518' ' ' VAL . 0.4 OUTLIER -121.41 77.41 35.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.05 -53.25 5.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 112.234 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -60.07 -53.04 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -39.02 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.786 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 523' ' ' ALA . . . . . 0.521 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -53.93 -32.13 52.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 524' ' ' ALA . . . . . 0.426 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -76.55 -32.49 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -73.99 -24.83 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.037 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 1.064 HD11 HG11 ' A' ' 515' ' ' VAL . 34.0 pt -91.25 -18.24 7.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.679 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 527' ' ' ARG . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 3.5 mtp-105 -41.1 -53.61 3.02 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.722 0.296 . . . . 0.0 111.662 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -57.34 -36.73 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 529' ' ' GLN . . . . . 0.635 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -75.97 -43.52 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.309 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 530' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 526' ' ' ILE . 21.7 t -60.28 -32.52 51.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.357 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 531' ' ' MET . . . . . 0.595 ' HA ' HD12 ' A' ' 534' ' ' LEU . 33.5 mmt -66.03 -56.72 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 532' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.0 t -55.34 -26.99 44.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.199 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 533' ' ' HIS . . . . . 0.721 ' HB3' HG21 ' A' ' 508' ' ' THR . 1.7 t-80 -58.51 -50.44 73.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.399 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 534' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.18 -41.63 97.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.159 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -60.95 -42.71 98.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.181 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 532' ' ' THR . 48.1 t -55.25 -38.38 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.726 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 537' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.17 -54.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.504 179.533 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.8 -42.21 50.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.77 -50.24 74.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 540' ' ' ARG . . . . . 0.515 ' CG ' HG13 ' A' ' 536' ' ' VAL . 20.1 mmm180 -58.38 -34.83 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 541' ' ' MET . . . . . 0.41 ' HE2' ' HG3' ' A' ' 501' ' ' GLU . 25.0 ttm -57.15 -35.83 70.0 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.141 0.496 . . . . 0.0 110.158 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -70.01 -31.85 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.502 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 547' ' ' LEU . 9.6 t -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.409 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 19.3 mt -63.91 -28.05 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 546' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 4.7 m -77.02 -36.25 56.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.138 0.494 . . . . 0.0 110.102 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.5 mt -61.54 -35.04 76.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.429 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.928 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.68 -31.14 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.857 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 549' ' ' TYR . . . . . 0.923 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.6 m-85 -54.41 -24.12 18.61 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 50.3 m-80 -47.3 -28.94 2.19 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.42 76.71 0.28 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.723 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 552' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 4.0 Cg_endo -47.27 -29.29 9.23 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.722 2.281 . . . . 0.0 112.532 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -50.4 46.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 99.2 t -79.77 -44.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.646 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 555' ' ' ALA . . . . . 0.827 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.04 -33.88 19.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.454 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.93 -50.83 25.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.86 -46.28 90.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 487' ' ' PRO . 2.5 pp -68.34 -36.39 74.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.601 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -59.13 -39.61 82.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.775 0.321 . . . . 0.0 111.124 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -54.9 32.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.87 -29.35 64.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 558' ' ' ILE . 16.0 t -71.25 -47.69 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.47 -29.62 69.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.608 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mm-40 -79.88 -24.07 41.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 565' ' ' LEU . . . . . 0.723 HD22 ' CE1' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -82.08 -36.22 27.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.728 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.9 mt -86.79 -23.35 25.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 567' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.8 OUTLIER -66.53 -59.37 3.7 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.8 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.3 65.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.969 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.699 0.285 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 461' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 507' ' ' HIS . 99.3 t -72.76 -45.81 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 465' ' ' LEU . 11.0 mt-10 -51.82 -43.3 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.428 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -66.52 -32.51 73.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.59 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.66 -41.7 87.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.663 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 462' ' ' GLU . 1.5 mt -66.15 -34.31 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.675 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -65.03 -36.96 86.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.807 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -61.06 -53.13 61.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.404 ' HA ' HD21 ' A' ' 471' ' ' LEU . 15.5 mtp180 -55.0 -34.36 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 67.2 ttp85 -81.18 -38.68 26.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -62.62 1.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.558 . . . . 0.0 110.137 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 468' ' ' ARG . 2.2 pp -53.35 -37.1 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.834 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -63.93 -38.72 92.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.062 0.458 . . . . 0.0 110.255 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.494 HD23 ' CE2' ' A' ' 497' ' ' TYR . 1.1 tm? -72.44 -50.53 25.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.643 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -27.42 68.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.483 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -69.97 -48.88 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.621 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.49 -34.43 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.691 HD13 HD12 ' A' ' 480' ' ' LEU . 17.7 mm -60.51 -33.95 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.348 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -59.03 -46.36 88.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.956 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.699 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.4 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.18 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.4 mt -60.16 -42.99 96.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.349 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.705 ' O ' HG23 ' A' ' 483' ' ' VAL . 77.2 mm-40 -83.85 -13.3 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.512 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -36.11 -52.78 0.78 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.1 t 51.56 94.73 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.31 133.63 32.23 Favored 'Cis proline' 0 C--N 1.348 0.51 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.235 -0.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -78.95 150.39 23.43 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.354 2.036 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.828 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.3 OUTLIER -99.1 86.49 0.53 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.529 ' HA ' HG22 ' A' ' 490' ' ' VAL . 9.8 Cg_endo -51.96 -22.0 13.4 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.411 2.074 . . . . 0.0 112.256 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -27.83 23.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.277 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.429 ' O ' ' CE ' ' A' ' 493' ' ' MET . 13.7 t-160 -86.37 -36.56 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.828 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.8 m -65.58 -35.95 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.709 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.829 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -66.58 -25.92 66.86 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.124 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.414 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 6.8 t30 -66.06 -59.44 3.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.429 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.11 -31.04 17.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.606 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.823 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.7 mm? -61.02 -51.43 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.464 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 6.4 ptmt -59.26 -28.3 66.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.713 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.464 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 1.8 mmmt -77.75 -47.72 18.34 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.494 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -61.24 -36.96 81.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.833 179.344 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 494' ' ' LEU . 93.3 t -63.86 -51.02 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.637 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -25.79 41.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.639 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.14 35.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.857 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 498' ' ' VAL . 1.2 pt-20 -60.27 -28.37 68.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 11.2 mt-30 -65.89 -48.24 72.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.456 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.66 -33.24 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.493 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.11 -46.5 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.694 ' HA ' HD13 ' A' ' 537' ' ' ILE . 6.1 ttm180 -57.53 -50.02 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -62.8 -29.99 71.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.481 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' HIS . . . . . 0.554 ' CE1' HG11 ' A' ' 461' ' ' VAL . 1.3 t-80 -68.29 -32.96 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.432 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.435 HG21 ' HG ' ' A' ' 534' ' ' LEU . 33.5 m -64.1 -44.2 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 509' ' ' LEU . 9.1 mp -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.631 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -60.71 -36.97 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -35.41 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.534 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -57.09 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -32.79 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.373 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' HIS . . . . . 0.453 ' O ' HG22 ' A' ' 518' ' ' VAL . 51.8 t60 -61.77 -55.64 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.672 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 526' ' ' ILE . 8.6 p -63.06 -28.86 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ARG . . . . . 0.404 ' HA ' ' CB ' ' A' ' 523' ' ' ALA . 10.5 ttt180 -69.46 -23.29 63.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.044 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' MET . . . . . 0.428 ' HG2' HG13 ' A' ' 518' ' ' VAL . 0.4 OUTLIER -88.64 -47.59 8.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 110.546 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 519' ' ' ASP . 23.4 m -79.4 -46.77 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.8 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 6.4 m-20 -127.29 74.29 77.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.1 -32.7 83.49 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.681 2.254 . . . . 0.0 112.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -56.97 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.067 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.59 -27.4 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.77 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -51.04 -41.76 60.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.738 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.71 -30.21 64.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.928 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -78.61 -33.16 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.005 HD11 HG11 ' A' ' 515' ' ' VAL . 1.4 pt -83.64 -12.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.69 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.534 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 8.2 mtp85 -42.61 -48.59 5.46 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 0.0 111.342 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.1 m -58.88 -32.66 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.813 ' O ' HG22 ' A' ' 532' ' ' THR . 0.8 OUTLIER -75.13 -47.48 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.293 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.628 ' CG2' HD12 ' A' ' 526' ' ' ILE . 60.3 t -61.24 -32.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.231 0.539 . . . . 0.0 109.969 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.668 ' HA ' HD12 ' A' ' 534' ' ' LEU . 0.4 OUTLIER -62.77 -53.98 46.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.476 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.3 t -55.34 -26.93 43.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.41 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.487 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -59.83 -49.59 77.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.124 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.58 -46.08 91.38 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.095 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -61.62 -40.12 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.062 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 532' ' ' THR . 24.6 t -57.83 -36.42 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.694 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.5 OUTLIER -57.94 -54.68 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 538' ' ' TYR . . . . . 0.415 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -76.69 -40.21 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.25 -49.73 76.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.476 ' CG ' HG13 ' A' ' 536' ' ' VAL . 18.7 mmt85 -58.6 -36.05 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.324 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.716 ' HE2' HG22 ' A' ' 498' ' ' VAL . 4.0 ttm -56.47 -35.0 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.299 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -70.49 -32.88 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.498 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.45 -41.96 88.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 m -60.43 -39.14 86.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 79.4 mt -61.48 -35.37 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.419 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 t -65.74 -36.97 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.4 mt -62.0 -44.97 95.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.528 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.934 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -79.93 -32.05 40.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.897 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.921 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.4 m-85 -54.28 -24.17 17.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.062 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -47.24 -29.12 2.21 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-O 121.07 0.462 . . . . 0.0 110.044 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.9 t -104.67 78.05 0.35 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.866 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -45.97 -29.82 6.5 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.762 2.308 . . . . 0.0 112.422 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 556' ' ' GLU . . . -69.99 -54.06 14.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.495 ' H ' HG12 ' A' ' 551' ' ' VAL . 78.2 t -75.06 -41.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.835 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.93 -34.61 56.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.998 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 553' ' ' ALA . 0.0 OUTLIER -80.56 -33.09 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.132 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.36 -42.99 58.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.478 . . . . 0.0 110.313 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -72.06 -36.85 58.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.502 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.429 ' N ' HD12 ' A' ' 558' ' ' ILE . 8.4 mm-40 -61.52 -41.55 97.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -48.51 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.12 -34.12 56.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.602 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.908 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.6 t -63.54 -54.54 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.946 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.3 t0 -59.43 -35.3 73.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.517 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.9 mt-10 -72.79 -25.01 61.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.329 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -78.85 -31.78 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.568 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.68 -16.72 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.517 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.6 mt-30 -52.53 -44.92 66.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.975 0.417 . . . . 0.0 110.604 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -60.7 -30.27 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.918 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.11 -41.28 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 465' ' ' LEU . 0.9 OUTLIER -52.81 -49.22 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 110.509 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.44 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 13.1 mmm -66.17 -42.96 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 507' ' ' HIS . 12.7 mt -60.83 -34.5 74.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -74.86 -38.22 62.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -62.11 -52.88 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.0 ptm85 -56.73 -34.2 67.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -79.83 -42.45 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -61.18 2.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 0.0 110.275 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.4 pp -53.58 -36.96 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.953 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -66.22 -39.27 89.49 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.01 0.433 . . . . 0.0 110.344 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 473' ' ' LEU . 1.1 tm? -74.64 -44.77 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.37 -24.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.503 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -71.74 -47.56 52.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.533 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.11 -38.12 87.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 109.971 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 480' ' ' LEU . 17.3 mm -57.52 -33.66 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.347 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.0 m -60.37 -46.32 90.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.991 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.776 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -63.25 -30.54 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.271 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.6 mt -59.05 -42.54 90.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.292 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.649 ' O ' HG23 ' A' ' 483' ' ' VAL . 76.3 mm-40 -90.89 -13.33 33.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.511 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -34.16 -56.88 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.9 t 50.41 96.58 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.452 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.23 134.39 30.2 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.659 -1.392 . . . . 0.0 112.076 -0.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 98.4 Cg_endo -85.4 148.52 10.15 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.516 2.144 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.918 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.6 mmm180 -102.47 82.27 0.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.43 ' O ' HG22 ' A' ' 558' ' ' ILE . 8.8 Cg_endo -50.36 -23.48 10.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.618 2.212 . . . . 0.0 112.308 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -26.83 22.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -86.06 -36.73 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.768 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.7 m -63.23 -39.75 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.465 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.725 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -62.88 -24.69 67.94 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.349 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 49.4 t30 -66.98 -57.99 5.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -50.65 -30.93 14.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 0.0 110.772 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.823 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.6 mm? -62.05 -51.53 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.705 ' CB ' HD11 ' A' ' 565' ' ' LEU . 7.9 ptmt -58.76 -29.46 66.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.043 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -77.88 -42.67 32.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.102 179.381 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.42 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.27 -34.1 76.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.231 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 494' ' ' LEU . 95.3 t -65.62 -50.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -27.14 46.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.3 79.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.518 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.02 -45.87 90.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.309 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -53.41 -37.36 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.7 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -68.1 -32.58 72.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.28 -42.32 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.609 ' HG2' HD23 ' A' ' 534' ' ' LEU . 0.0 OUTLIER -60.24 -42.82 96.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.15 -29.0 70.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.443 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' HIS . . . . . 0.424 ' CD2' HD11 ' A' ' 465' ' ' LEU . 10.0 m80 -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.497 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.471 HG23 HG13 ' A' ' 530' ' ' VAL . 52.9 m -66.44 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.495 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -69.27 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.347 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.69 -39.37 91.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.836 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.3 OUTLIER -61.34 -49.35 77.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.716 ' HD1' HG21 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -52.5 -42.78 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.027 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.85 -44.03 51.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.07 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -61.57 -54.96 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.923 HG11 ' CD1' ' A' ' 526' ' ' ILE . 13.2 p -62.08 -22.52 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -78.04 -23.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 22.0 mtm -88.11 -19.73 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.291 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 519' ' ' ASP . 16.7 m -113.58 -45.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 518' ' ' VAL . 29.4 m-20 -121.78 78.89 39.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.38 -52.03 6.34 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.578 2.186 . . . . 0.0 112.314 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -58.7 -52.22 66.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.788 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -38.35 82.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.22 -31.27 61.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.026 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.56 59.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 526' ' ' ILE . 0.0 OUTLIER -73.66 -38.55 64.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.186 179.535 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.923 ' CD1' HG11 ' A' ' 515' ' ' VAL . 48.4 pt -74.7 -10.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.779 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -44.77 2.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 111.704 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 14.3 m -78.01 -30.83 50.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 532' ' ' THR . 1.3 tt0 -74.62 -46.71 36.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.454 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.716 HG21 ' HD1' ' A' ' 512' ' ' PHE . 47.3 t -65.59 -34.21 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.037 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.638 ' HA ' HD12 ' A' ' 534' ' ' LEU . 10.1 mmt -66.93 -51.25 57.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.488 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 536' ' ' VAL . 14.7 t -58.7 -26.94 64.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.906 0.384 . . . . 0.0 110.139 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.496 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -58.84 -50.71 72.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -60.2 -45.95 91.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.06 0.457 . . . . 0.0 110.339 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 531' ' ' MET . 9.1 mtp85 -61.14 -39.91 91.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.086 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 532' ' ' THR . 40.6 t -56.12 -40.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.52 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.7 OUTLIER -55.94 -54.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -76.1 -40.84 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.294 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.73 -54.29 47.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.638 ' HG3' HG13 ' A' ' 536' ' ' VAL . 36.9 mtp180 -56.02 -35.88 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.57 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.692 ' HE2' HG22 ' A' ' 498' ' ' VAL . 22.0 ttm -56.47 -35.69 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.204 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -69.21 -32.63 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.388 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -62.78 -38.45 90.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.56 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 547' ' ' LEU . 7.2 m -63.54 -43.08 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 46.2 mt -56.72 -33.84 66.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -68.42 -36.55 79.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.96 0.41 . . . . 0.0 110.645 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.9 mt -62.1 -40.36 95.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.935 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -84.97 -31.31 23.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.866 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.914 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.5 m-85 -55.19 -23.53 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.144 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -47.73 -28.89 2.69 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.112 0.482 . . . . 0.0 110.009 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.3 t -105.13 77.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.872 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.83 -29.41 5.72 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.868 2.378 . . . . 0.0 112.526 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.18 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.455 ' H ' HG12 ' A' ' 551' ' ' VAL . 84.2 t -74.85 -42.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.846 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.41 -35.79 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.547 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -73.15 -51.01 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.44 -46.53 88.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.6 pp -68.67 -37.47 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.557 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.466 ' N ' HD12 ' A' ' 558' ' ' ILE . 7.6 mm-40 -60.22 -35.3 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -66.28 -52.06 51.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.73 -30.85 61.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.599 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.4 t -64.09 -57.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.2 -34.35 66.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.489 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 38.2 mt-10 -71.91 -23.72 61.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 491' ' ' PHE . 0.1 OUTLIER -80.1 -32.48 39.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.464 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.451 ' HG ' ' HG ' ' A' ' 565' ' ' LEU . 2.2 mt -86.57 -15.81 38.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.489 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 21.0 mt-30 -51.64 -44.68 63.06 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.508 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.32 -32.26 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.85 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.879 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.755 0.312 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.01 -42.7 83.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -51.98 -44.35 63.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.473 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.12 71.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.617 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.2 mtp -64.76 -48.09 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.679 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.89 -33.26 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.478 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -52.13 58.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.657 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -55.41 -42.04 73.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.807 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 16.8 mtt-85 -59.42 -29.89 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -83.06 -42.17 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -61.73 -60.49 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.199 0.523 . . . . 0.0 109.875 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.409 HD12 ' OD1' ' A' ' 475' ' ' ASN . 1.3 pp -56.28 -36.3 68.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.613 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -67.35 -42.14 84.01 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -69.55 -47.14 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 179.27 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.14 -27.58 69.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.329 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' ASN . . . . . 0.409 ' OD1' HD12 ' A' ' 471' ' ' LEU . 1.3 m120 -69.81 -48.97 57.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -64.68 -35.62 81.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.853 0.358 . . . . 0.0 110.25 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.601 HD13 HD12 ' A' ' 480' ' ' LEU . 15.9 mm -60.21 -33.56 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.8 m -58.28 -47.01 84.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.069 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.596 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -63.08 -32.79 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.202 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.7 mt -58.73 -42.46 88.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.794 ' O ' HG23 ' A' ' 483' ' ' VAL . 82.2 mm-40 -87.86 -11.98 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.245 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -29.85 -53.47 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 481' ' ' GLN . 52.2 t 46.17 96.37 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.627 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.18 135.19 38.73 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.446 -1.481 . . . . 0.0 112.222 -0.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.9 153.18 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.502 2.135 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.783 ' O ' HG13 ' A' ' 490' ' ' VAL . 17.3 mtt85 -112.68 80.56 3.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.437 ' HA ' HG22 ' A' ' 490' ' ' VAL . 88.5 Cg_exo -46.35 -25.6 3.35 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.703 2.269 . . . . 0.0 112.801 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -25.79 23.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.407 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.0 OUTLIER -87.3 -35.5 18.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.8 m -64.2 -40.52 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.735 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -53.47 -29.61 36.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.003 0.43 . . . . 0.0 110.163 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 19.5 t-20 -70.89 -46.38 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.488 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -57.73 -35.22 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.8 mm? -60.72 -45.76 93.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.64 ' CD ' HD13 ' A' ' 565' ' ' LEU . 9.0 mtpt -48.7 -44.73 38.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.888 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -51.36 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.681 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -65.19 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 109.959 179.744 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 494' ' ' LEU . 69.3 t -70.79 -48.14 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -24.02 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.52 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -72.04 -42.1 66.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.46 -47.18 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.97 -41.26 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -64.22 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.346 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.76 -42.13 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.507 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.619 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -58.34 -43.1 88.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.434 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -69.99 -28.5 65.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -72.23 -35.49 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.225 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.53 HG23 HG13 ' A' ' 530' ' ' VAL . 96.8 m -63.0 -38.08 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.226 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -59.18 -51.89 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.764 179.538 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -52.64 -38.48 60.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.667 ' O ' HG12 ' A' ' 515' ' ' VAL . 4.6 m80 -62.31 -38.38 89.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -61.86 -55.28 31.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.99 -37.65 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.337 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' HIS . . . . . 0.409 ' O ' HG22 ' A' ' 518' ' ' VAL . 26.4 t60 -62.87 -56.01 21.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.052 HG11 HD11 ' A' ' 526' ' ' ILE . 7.6 p -60.56 -22.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -74.71 -26.33 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 74.0 mtm -89.63 -15.29 33.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 519' ' ' ASP . 17.9 m -116.16 -47.1 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.698 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.468 ' N ' HG23 ' A' ' 518' ' ' VAL . 6.7 t0 -127.88 73.66 78.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.28 -34.22 93.93 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.613 2.209 . . . . 0.0 112.203 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -62.73 -55.82 23.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -71.29 -28.66 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 526' ' ' ILE . . . -54.36 -36.06 63.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.76 -29.35 63.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.682 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -75.58 -33.91 60.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.052 HD11 HG11 ' A' ' 515' ' ' VAL . 35.5 pt -79.1 -14.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.709 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.519 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -40.92 -47.85 3.04 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 33.4 m -74.71 -34.33 62.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.878 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -72.16 -49.23 37.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.679 -179.625 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.53 HG13 HG23 ' A' ' 508' ' ' THR . 41.2 t -60.84 -31.69 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.681 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.4 mmt -62.45 -44.5 96.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 529' ' ' GLN . 7.6 t -65.51 -26.43 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.626 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.869 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -63.98 -40.17 95.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.394 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.88 -52.12 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.364 179.444 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 15.9 ptt180 -64.81 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -64.43 -35.38 74.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.869 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -59.29 -54.13 38.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.136 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 538' ' ' TYR . . . . . 0.407 ' N ' HG22 ' A' ' 537' ' ' ILE . 1.4 t80 -72.62 -43.64 63.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.31 -52.77 63.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.941 0.401 . . . . 0.0 110.636 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -32.51 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.339 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.414 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 21.5 ttm -58.67 -35.29 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.329 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -70.24 -31.78 69.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.314 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -63.96 -34.4 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.696 ' HA ' HD12 ' A' ' 547' ' ' LEU . 4.1 t -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 44.7 mt -58.17 -36.43 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 1.2 m -68.2 -37.75 81.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.97 0.414 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.8 mt -62.69 -37.64 87.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.927 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.46 -31.34 20.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.992 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.915 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.9 m-85 -56.64 -22.52 34.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.179 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -47.47 -29.21 2.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.7 t -104.31 78.64 0.35 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.008 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.59 -30.82 9.28 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.693 2.262 . . . . 0.0 112.393 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.67 -54.17 17.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 551' ' ' VAL . 89.7 t -74.94 -45.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.774 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -49.83 -31.47 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.26 -52.09 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.33 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.89 -46.48 90.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.958 0.408 . . . . 0.0 110.455 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.492 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -66.14 -38.33 81.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.428 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.492 ' N ' HD12 ' A' ' 558' ' ' ILE . 28.1 mm-40 -59.09 -34.89 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.67 -55.92 19.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.26 -31.88 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.492 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.922 ' HA ' HD23 ' A' ' 565' ' ' LEU . 4.4 t -65.77 -59.8 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.6 t0 -49.86 -34.84 21.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.369 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.538 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 2.0 mt-10 -71.2 -26.21 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.286 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.5 OUTLIER -76.59 -32.59 58.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.799 -179.36 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.3 mp -86.56 -16.57 36.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.538 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.8 mt-30 -54.64 -48.22 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.62 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.49 -29.37 61.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.946 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.79 0.329 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.1 -43.2 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.185 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.653 ' HA ' HD12 ' A' ' 465' ' ' LEU . 5.3 mt-10 -52.55 -44.39 65.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.962 0.411 . . . . 0.0 110.544 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.683 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.2 mmm -66.58 -47.22 73.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.603 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 462' ' ' GLU . 2.5 mt -60.19 -30.73 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.603 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.28 -51.62 42.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -45.54 90.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 29.6 mtp180 -58.77 -29.28 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.81 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -84.6 -44.84 13.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -51.1 67.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.108 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.18 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.161 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -64.16 -43.6 94.66 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.152 0.501 . . . . 0.0 109.805 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -65.95 -53.41 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.692 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -26.71 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.535 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -70.59 -50.14 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.443 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.455 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -68.42 -30.1 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.619 HD13 HD12 ' A' ' 480' ' ' LEU . 18.1 mm -64.54 -33.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 81.8 m -63.33 -46.2 87.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.831 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.541 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -62.95 -27.63 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.739 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.9 mt -60.29 -44.7 95.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.278 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.791 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.7 mp0 -89.8 -11.86 40.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.477 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -28.53 -54.0 0.11 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.7 t 45.54 97.27 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.808 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 12.1 Cg_exo -70.61 131.78 21.36 Favored 'Cis proline' 0 C--N 1.347 0.495 0 C-N-CA 123.714 -1.369 . . . . 0.0 111.989 -0.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.449 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 3.4 Cg_exo -79.45 159.34 25.77 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.474 2.116 . . . . 0.0 112.043 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.834 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.7 mtp85 -116.54 76.65 7.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 490' ' ' VAL . 77.5 Cg_exo -48.11 -25.0 6.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.578 2.186 . . . . 0.0 112.603 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -26.26 23.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.219 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -87.28 -35.62 18.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.834 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.3 m -64.23 -39.36 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.511 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 491' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -30.23 60.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.112 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -68.55 -47.39 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.315 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.429 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.83 -39.99 72.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.721 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.1 mm? -56.27 -47.38 78.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.442 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.577 ' CD ' HD13 ' A' ' 565' ' ' LEU . 11.0 mtpt -49.04 -46.17 43.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.737 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -52.7 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.436 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.672 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -60.54 -32.62 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.167 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 494' ' ' LEU . 89.1 t -73.59 -52.07 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.65 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -23.77 55.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.91 -40.39 63.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 0.9 OUTLIER -62.53 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.507 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -55.86 -42.64 76.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.48 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -60.59 -43.26 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.496 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.69 -41.58 83.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.309 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.514 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.6 ttt180 -58.68 -44.16 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.476 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -60.85 -27.74 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -33.86 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.757 HG21 ' HB2' ' A' ' 534' ' ' LEU . 11.2 m -59.09 -53.17 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' A' ' 509' ' ' LEU . 1.1 mm? -55.23 -50.8 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 514' ' ' HIS . 8.4 mtpp -60.48 -45.15 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.595 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.3 OUTLIER -53.26 -34.55 57.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.3 OUTLIER -70.91 -56.61 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.068 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.29 -36.62 84.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.782 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 518' ' ' VAL . 0.9 OUTLIER -63.88 -58.04 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.722 0.296 . . . . 0.0 110.795 -179.686 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.032 HG11 HD11 ' A' ' 526' ' ' ILE . 7.7 p -65.18 -23.59 33.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -77.97 -23.63 48.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 19.8 mtm -89.5 -16.0 31.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.199 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 519' ' ' ASP . 22.8 m -115.48 -46.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.32 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.4 m-20 -125.51 72.74 67.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.97 -31.99 84.35 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.624 2.216 . . . . 0.0 112.177 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.965 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.593 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.82 -27.77 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.53 -28.96 63.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.843 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.0 -32.46 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.032 HD11 HG11 ' A' ' 515' ' ' VAL . 32.1 pt -81.71 -10.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.712 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.545 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.14 -51.49 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.621 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -36.56 76.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 532' ' ' THR . 1.7 tt0 -74.28 -51.86 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.324 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 48.7 t -63.28 -31.76 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.462 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 1.2 mmt -68.37 -49.55 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 536' ' ' VAL . 1.0 OUTLIER -57.15 -32.58 66.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.69 ' O ' HD12 ' A' ' 537' ' ' ILE . 10.8 t60 -64.69 -38.95 92.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.489 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.757 ' HB2' HG21 ' A' ' 508' ' ' THR . 3.1 tm? -67.01 -48.17 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.59 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 531' ' ' MET . 27.7 mtp180 -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 532' ' ' THR . 35.5 t -59.92 -35.93 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.471 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -59.16 -55.34 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.316 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 538' ' ' TYR . . . . . 0.418 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.89 -39.05 57.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.255 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.16 -54.2 47.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.464 ' CG ' HG13 ' A' ' 536' ' ' VAL . 0.9 OUTLIER -56.45 -36.15 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 36.3 ttm -57.57 -34.22 68.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.482 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.55 -33.98 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.922 ' HA ' HD12 ' A' ' 547' ' ' LEU . 98.3 p -67.1 -42.97 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.744 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.445 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 67.1 mt -56.65 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.025 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 4.0 m -67.71 -34.23 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.09 0.472 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.922 HD12 ' HA ' ' A' ' 544' ' ' SER . 20.5 mt -63.72 -38.6 91.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.935 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.43 -32.59 19.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.034 179.667 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.935 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.6 m-85 -56.22 -22.23 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.318 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -47.74 -28.88 2.7 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.02 0.438 . . . . 0.0 110.265 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.2 t -105.32 77.9 0.39 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.099 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -47.66 -26.83 7.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.774 2.316 . . . . 0.0 112.49 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.14 -49.3 37.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.58 -43.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.871 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.52 -39.51 57.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.728 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.405 ' HG3' ' HG2' ' A' ' 557' ' ' GLU . 13.0 pt-20 -72.42 -42.86 64.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.421 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.405 ' HG2' ' HG3' ' A' ' 556' ' ' GLU . 1.2 mm-40 -67.11 -49.02 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.247 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.467 HG21 HG21 ' A' ' 490' ' ' VAL . 2.2 pp -66.21 -35.53 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.398 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -62.29 -36.88 83.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.82 -53.43 57.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.684 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -74.54 -38.05 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.902 ' HA ' HD23 ' A' ' 565' ' ' LEU . 7.8 t -64.54 -57.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.405 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -54.7 -28.05 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.39 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 28.2 mt-10 -77.73 -23.56 49.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.053 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.902 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -78.96 -35.42 43.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.578 -179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.4 mp -86.93 -18.35 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.5 pt20 -58.96 -53.14 61.77 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.728 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.95 -26.05 21.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.566 179.782 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.845 0.355 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.34 -43.97 91.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 465' ' ' LEU . 1.1 pt-20 -51.57 -44.45 62.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.473 . . . . 0.0 110.709 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.85 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 8.9 mmm -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.764 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.773 HD13 ' OD1' ' A' ' 504' ' ' ASP . 5.6 mt -65.05 -38.46 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.08 -39.15 93.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.699 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -50.32 70.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.675 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -57.76 -28.97 64.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.708 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -87.04 -39.07 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.755 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -48.41 71.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.259 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 2.0 pp -65.24 -40.54 94.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 497' ' ' TYR . . . -63.93 -38.42 91.01 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.678 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.7 OUTLIER -71.73 -53.08 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.418 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -61.32 -23.85 66.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.707 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -73.88 -48.37 31.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.339 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.3 OUTLIER -69.79 -28.91 66.13 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.825 HD13 HD12 ' A' ' 480' ' ' LEU . 16.5 mm -65.04 -33.89 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.188 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 96.8 m -58.12 -46.82 84.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.987 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.456 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.5 -31.81 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.194 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.5 mt -59.78 -42.04 92.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.302 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.619 ' O ' HG23 ' A' ' 483' ' ' VAL . 85.2 mm-40 -83.12 -13.48 55.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -34.91 -54.53 0.58 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.1 t 45.54 96.89 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.858 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 11.4 Cg_exo -70.94 134.9 33.66 Favored 'Cis proline' 0 C--N 1.347 0.484 0 C-N-CA 123.7 -1.375 . . . . 0.0 112.07 -0.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.51 154.67 16.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.532 2.155 . . . . 0.0 112.397 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.737 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.9 mmt85 -104.26 78.67 0.35 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.8 Cg_endo -49.19 -22.87 5.92 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.796 2.33 . . . . 0.0 112.652 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -26.38 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 111.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.402 ' O ' ' CE ' ' A' ' 493' ' ' MET . 6.8 t-160 -86.5 -36.44 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.5 m -64.28 -41.88 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.368 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.441 ' CD1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.29 -26.74 19.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.178 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -74.0 -43.14 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.27 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.492 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -64.34 -28.32 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 476' ' ' TYR . 2.7 mm? -71.71 -45.42 61.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.856 ' HB2' HD11 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.83 -31.28 62.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -84.92 -50.29 7.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.746 0.308 . . . . 0.0 110.273 179.188 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.678 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -52.03 -44.62 64.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.163 0.506 . . . . 0.0 109.761 179.108 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.556 HG11 HD22 ' A' ' 566' ' ' LEU . 50.0 t -62.67 -42.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.378 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -27.99 57.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.12 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.571 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.98 -41.02 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.196 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -57.83 -40.14 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.444 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -65.65 -38.46 89.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.535 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' ASP . . . . . 0.773 ' OD1' HD13 ' A' ' 465' ' ' LEU . 12.0 t0 -63.56 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.44 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.614 ' HG2' HD21 ' A' ' 534' ' ' LEU . 2.3 ttp180 -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.71 -32.0 73.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.413 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -36.66 83.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.533 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.584 HG21 ' HB2' ' A' ' 534' ' ' LEU . 96.1 m -58.33 -52.84 63.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.152 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -57.08 -52.1 66.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 110.204 179.083 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -58.34 -41.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.723 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.679 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.1 OUTLIER -53.04 -39.16 63.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.494 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -60.0 -51.03 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.764 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -75.72 -31.69 59.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.721 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -60.52 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.703 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.017 HG11 HD11 ' A' ' 526' ' ' ILE . 9.8 p -61.38 -23.67 31.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -77.3 -23.41 51.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 33.2 mtm -88.4 -17.78 29.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.348 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 519' ' ' ASP . 16.1 m -115.19 -44.46 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 111.351 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 5.1 t0 -126.76 73.38 75.33 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.85 -30.11 83.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.623 2.215 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -64.19 -57.47 9.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.021 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -76.4 -27.74 56.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.768 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -52.53 -41.23 63.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.48 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -75.38 -32.02 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.017 HD11 HG11 ' A' ' 515' ' ' VAL . 33.2 pt -81.7 -9.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.38 -49.21 3.82 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.687 0.279 . . . . 0.0 111.564 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 2.6 m -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.588 ' O ' HG22 ' A' ' 532' ' ' THR . 0.8 OUTLIER -75.84 -45.03 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.463 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 512' ' ' PHE . 35.5 t -62.07 -32.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.6 mmt -68.31 -52.21 36.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.1 t -59.55 -30.7 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.852 0.358 . . . . 0.0 110.298 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.508 ' O ' HD12 ' A' ' 537' ' ' ILE . 6.6 t-80 -59.01 -43.56 91.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.234 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.614 HD21 ' HG2' ' A' ' 505' ' ' ARG . 1.7 tm? -63.76 -42.92 97.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.15 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -42.46 98.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.012 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.45 HG13 ' CG ' ' A' ' 540' ' ' ARG . 22.9 t -55.85 -37.58 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.4 OUTLIER -56.25 -54.66 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 538' ' ' TYR . . . . . 0.44 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -75.43 -42.08 54.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.58 -49.9 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.45 ' CG ' HG13 ' A' ' 536' ' ' VAL . 7.3 mmp_? -57.28 -38.58 74.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.526 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 18.3 ttm -55.51 -35.11 65.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.313 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -72.49 -30.59 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.607 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.3 -36.38 76.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 t -64.63 -41.19 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.578 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 52.9 mt -62.69 -34.98 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.418 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.2 m -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 544' ' ' SER . 25.0 mt -62.5 -37.9 87.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.666 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.925 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.57 -31.23 19.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.036 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.925 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.4 m-85 -56.43 -22.48 32.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.204 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -47.58 -29.19 2.7 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.3 t -105.37 77.66 0.38 Allowed Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.965 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.89 -30.62 7.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 557' ' ' GLU . . . -68.29 -54.17 19.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 551' ' ' VAL . 90.5 t -75.22 -45.55 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.871 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.06 -30.94 11.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.571 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -77.1 -52.26 9.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.593 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 1.6 mm-40 -61.43 -41.92 97.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.109 0.48 . . . . 0.0 110.609 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -70.77 -41.41 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.837 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 18.3 mm100 -63.44 -37.13 86.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.715 0.293 . . . . 0.0 111.217 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -51.92 67.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' GLU . . . . . 0.406 ' HG3' ' CG ' ' A' ' 491' ' ' PHE . 4.7 pt-20 -79.35 -35.56 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.556 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.681 ' O ' HD12 ' A' ' 566' ' ' LEU . 8.3 t -60.44 -52.87 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -39.74 91.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.535 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.4 mm-40 -68.99 -25.7 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.214 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -75.84 -35.41 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.529 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mt -84.02 -16.04 45.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.535 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 23.4 mt-30 -56.78 -48.94 76.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.703 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -60.28 -30.03 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.962 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.818 0.342 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 71.1 t -54.68 -41.93 58.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.512 ' HA ' HD12 ' A' ' 465' ' ' LEU . 4.4 mt-10 -51.54 -43.75 62.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 0.0 110.517 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.86 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 41.4 mtp -67.63 -44.01 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 462' ' ' GLU . 4.6 mt -65.86 -26.61 67.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -76.41 -43.48 40.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.95 -54.74 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.402 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 5.3 ptm180 -57.81 -31.38 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.707 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 9.8 ttp-105 -80.91 -40.86 23.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -62.66 1.68 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.18 0.514 . . . . 0.0 109.991 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 468' ' ' ARG . 1.7 pp -53.33 -34.16 56.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.773 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 497' ' ' TYR . . . -64.85 -41.31 95.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.962 0.41 . . . . 0.0 110.554 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 497' ' ' TYR . 1.1 tm? -73.05 -43.07 62.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.106 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.92 -27.18 67.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.594 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -70.55 -46.68 63.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.534 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -65.24 -38.63 90.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.05 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.595 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -56.15 -35.41 41.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.425 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.44 85.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.665 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -65.83 -29.0 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.347 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.862 HD11 ' HB2' ' A' ' 548' ' ' LEU . 6.3 mt -62.75 -42.58 99.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.156 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 483' ' ' VAL . 66.0 mm-40 -83.18 -13.26 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.445 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -37.2 -56.05 0.95 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.775 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 481' ' ' GLN . 43.5 t 44.42 96.93 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.61 134.67 25.94 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 123.587 -1.422 . . . . 0.0 112.016 -0.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.455 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 87.4 Cg_endo -84.19 164.17 13.17 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.499 2.133 . . . . 0.0 112.422 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.722 ' O ' HG13 ' A' ' 490' ' ' VAL . 6.4 mtt85 -112.76 78.35 2.81 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.494 ' HA ' HG22 ' A' ' 490' ' ' VAL . 84.5 Cg_exo -46.82 -27.03 5.19 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.522 2.148 . . . . 0.0 112.513 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -85.54 -25.72 26.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.381 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.8 OUTLIER -87.65 -36.91 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.017 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.818 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.6 m -65.45 -34.05 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.509 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.756 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.96 -26.4 67.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 3.9 t30 -68.15 -56.51 8.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.46 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -53.64 -30.54 43.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.923 0.392 . . . . 0.0 110.484 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.818 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.7 mm? -62.15 -53.7 51.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.441 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -55.05 -27.14 42.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.967 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.441 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 3.1 mmmt -74.39 -53.05 10.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.877 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.47 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -64.49 -33.6 76.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.639 179.373 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 494' ' ' LEU . 58.9 t -67.03 -46.89 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.117 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -27.25 62.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.31 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.534 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 469' ' ' ARG . 1.2 mt-10 -62.44 -49.12 76.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.163 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -56.6 -40.79 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.14 -31.96 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.53 -42.03 59.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.537 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.668 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.2 ttt-85 -59.27 -53.71 55.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -27.31 69.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.385 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 510' ' ' LYS . 0.1 OUTLIER -70.17 -40.95 74.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.375 179.568 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.544 ' CG2' HG13 ' A' ' 530' ' ' VAL . 56.9 m -60.91 -31.7 71.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -68.22 -39.33 82.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.113 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 507' ' ' HIS . 7.0 mmmt -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.765 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.8 OUTLIER -55.12 -41.27 71.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -51.2 -54.56 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.536 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.6 -40.05 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.586 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' HIS . . . . . 0.436 ' O ' HG22 ' A' ' 518' ' ' VAL . 3.0 t60 -62.49 -54.71 35.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.715 0.293 . . . . 0.0 110.886 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 526' ' ' ILE . 8.9 p -60.74 -26.77 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.16 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 3.4 ttp180 -70.81 -26.44 63.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 111.025 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 44.4 mtm -89.78 -15.68 31.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.749 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 519' ' ' ASP . 17.7 m -117.02 -47.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 5.0 t0 -127.28 74.48 77.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.674 0.273 . . . . 0.0 111.55 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.02 -31.11 66.35 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -63.73 -57.72 9.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.017 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.664 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -73.83 -28.25 61.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -51.36 -40.72 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.431 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -71.35 -30.18 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.525 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -41.82 56.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.414 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.054 HD11 HG11 ' A' ' 515' ' ' VAL . 42.1 pt -71.83 -18.8 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.711 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 12.4 mtp85 -41.61 -51.54 3.96 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.664 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 39.6 m -60.38 -33.94 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.51 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -76.62 -40.73 48.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.238 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.544 HG13 ' CG2' ' A' ' 508' ' ' THR . 46.9 t -63.05 -33.17 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.082 0.468 . . . . 0.0 110.321 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.626 ' HA ' HD12 ' A' ' 534' ' ' LEU . 3.7 mmt -67.92 -54.83 15.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.488 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 536' ' ' VAL . 14.8 t -57.85 -25.57 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.174 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.6 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -60.54 -48.63 80.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.553 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.99 -44.67 96.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.338 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -61.79 -42.28 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.189 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 532' ' ' THR . 41.3 t -55.69 -37.3 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -57.73 -55.28 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -37.38 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.34 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.3 -59.16 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.658 ' HG3' HG13 ' A' ' 536' ' ' VAL . 52.3 mtt180 -54.05 -35.3 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.53 ' HE1' HG13 ' A' ' 498' ' ' VAL . 32.1 ttm -57.41 -34.97 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -71.27 -30.61 66.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.548 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -67.37 -42.01 84.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 547' ' ' LEU . 5.0 p -61.79 -39.54 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.461 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 57.9 mt -63.33 -31.54 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 13.1 m -67.36 -35.24 78.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.9 mt -63.64 -39.36 94.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.607 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.915 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -85.77 -31.74 22.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.818 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.915 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.3 m-85 -54.95 -24.0 21.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -48.01 -28.55 2.85 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-O 121.114 0.483 . . . . 0.0 110.057 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.4 t -105.6 76.8 0.36 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.945 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -46.86 -27.73 6.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 556' ' ' GLU . . . -69.84 -48.49 58.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.117 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.449 ' H ' HG12 ' A' ' 551' ' ' VAL . 79.0 t -82.98 -41.78 17.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.058 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.847 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.48 -36.04 54.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.03 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 17.0 pt-20 -74.48 -46.04 42.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.549 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -42.7 96.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -72.65 -39.01 60.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.815 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.483 ' N ' HD12 ' A' ' 558' ' ' ILE . 15.2 mm100 -62.18 -41.43 98.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.723 0.297 . . . . 0.0 111.186 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.99 -47.91 84.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.89 -33.79 45.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.695 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.79 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.5 t -63.28 -55.94 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.817 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 1.9 t70 -59.31 -36.01 74.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.51 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.542 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.5 mm-40 -69.4 -24.92 63.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -75.47 -32.08 60.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.881 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mt -86.54 -19.22 29.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.542 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 5.9 mt-30 -59.4 -43.14 93.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -29.27 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.086 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.932 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.809 0.337 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.14 -42.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.63 -43.93 62.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.982 0.42 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.55 -31.35 72.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 28.6 mtp -65.78 -47.89 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.05 -39.71 79.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 470' ' ' ARG . 9.3 m-20 -64.61 -51.43 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.633 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -47.33 -45.7 24.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.981 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -32.28 71.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -81.02 -41.95 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.983 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 466' ' ' ASN . 23.8 mmm180 -60.66 -60.83 3.18 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 109.858 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.456 HD12 ' OD1' ' A' ' 475' ' ' ASN . 1.0 OUTLIER -53.15 -37.6 61.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.559 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 497' ' ' TYR . . . -68.52 -42.83 77.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.134 0.492 . . . . 0.0 109.749 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.88 HD21 ' HB2' ' A' ' 544' ' ' SER . 0.3 OUTLIER -65.13 -50.2 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -26.67 68.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.315 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 475' ' ' ASN . . . . . 0.456 ' OD1' HD12 ' A' ' 471' ' ' LEU . 1.2 m120 -70.32 -49.71 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.261 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.473 ' OH ' ' HB3' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -70.32 -28.13 64.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.922 0.392 . . . . 0.0 110.232 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.602 HD13 HD12 ' A' ' 480' ' ' LEU . 19.0 mm -67.93 -33.08 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.207 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -61.7 -47.24 86.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.851 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -61.06 -30.15 70.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.244 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 548' ' ' LEU . 9.5 mt -59.11 -47.21 86.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.312 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.798 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.3 mp0 -88.03 -11.26 47.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -27.9 -51.74 0.07 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 481' ' ' GLN . 72.5 t 46.69 97.43 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 69.4 Cg_endo -74.18 134.78 37.19 Favored 'Cis proline' 0 C--N 1.349 0.581 0 C-N-CA 123.393 -1.503 . . . . 0.0 112.155 -0.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 84.4 Cg_endo -82.38 139.81 10.53 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.401 2.067 . . . . 0.0 112.311 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.916 ' O ' HG13 ' A' ' 490' ' ' VAL . 7.5 mtt180 -101.47 83.71 0.47 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.498 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.0 Cg_endo -47.87 -25.68 6.38 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.878 2.386 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -27.81 24.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.332 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 486' ' ' ARG . 0.0 OUTLIER -87.65 -36.39 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.639 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.1 m -62.58 -36.03 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.205 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.631 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -58.22 -32.26 68.15 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 121.004 0.431 . . . . 0.0 109.983 179.176 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -66.49 -45.44 79.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.421 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -56.16 -35.88 67.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.476 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.4 mm? -58.69 -49.95 75.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.065 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.518 ' CG ' HD13 ' A' ' 565' ' ' LEU . 17.3 mtpt -47.07 -43.39 20.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -54.86 33.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.191 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.721 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -59.65 -34.84 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.012 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.948 HG11 HD21 ' A' ' 566' ' ' LEU . 77.2 t -69.77 -51.27 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.405 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -26.29 28.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.87 69.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.55 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.56 ' HG3' ' HE2' ' A' ' 541' ' ' MET . 1.2 mt-10 -62.48 -44.1 97.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.133 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.4 -37.76 65.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.484 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -66.92 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.307 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' ASP . . . . . 0.581 ' OD1' HD11 ' A' ' 537' ' ' ILE . 12.9 t70 -63.8 -41.73 97.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.421 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.481 ' HA ' HD13 ' A' ' 537' ' ' ILE . 6.4 ttt180 -60.43 -40.54 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.259 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.96 -31.31 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.301 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -70.36 -31.37 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.33 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.64 HG21 ' HG ' ' A' ' 534' ' ' LEU . 3.7 m -60.49 -48.98 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.5 mp -58.2 -43.68 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.64 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -60.57 -38.7 85.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.629 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.838 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.1 OUTLIER -60.3 -36.24 77.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.791 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -57.62 -54.57 45.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.504 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.209 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.651 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.057 HG11 HD11 ' A' ' 526' ' ' ILE . 12.7 p -60.57 -24.34 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.78 -23.31 58.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.5 mtp -87.34 -22.29 25.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.457 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.24 -41.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.51 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 2.2 t0 -128.9 73.69 81.37 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.05 -31.77 83.76 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.69 2.26 . . . . 0.0 112.392 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -63.62 -56.69 13.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.605 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.58 -27.4 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -53.14 -40.06 63.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.33 61.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.686 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -74.4 -30.29 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.678 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.057 HD11 HG11 ' A' ' 515' ' ' VAL . 23.1 pt -82.41 -7.58 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.502 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -42.71 -45.45 4.74 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.849 0.357 . . . . 0.0 111.363 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 1.9 m -71.26 -29.71 65.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.723 ' O ' HG22 ' A' ' 532' ' ' THR . 0.6 OUTLIER -73.83 -44.87 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.17 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.791 HG11 ' CD2' ' A' ' 512' ' ' PHE . 10.0 t -58.16 -32.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.665 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.0 mmt -66.23 -56.21 12.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.416 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.9 t -55.1 -28.95 56.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.492 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 530' ' ' VAL . 4.8 m-70 -58.75 -47.78 83.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.184 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -62.58 -43.9 97.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 109.77 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -59.08 -41.86 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.659 HG13 ' HG3' ' A' ' 540' ' ' ARG . 22.9 t -53.45 -40.97 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.581 HD11 ' OD1' ' A' ' 504' ' ' ASP . 0.7 OUTLIER -55.68 -54.08 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.555 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -73.97 -41.89 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -55.76 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.41 . . . . 0.0 110.714 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.659 ' HG3' HG13 ' A' ' 536' ' ' VAL . 37.0 mtt180 -56.45 -30.37 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.56 ' HE2' ' HG3' ' A' ' 501' ' ' GLU . 31.2 ttm -58.51 -37.3 75.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.162 0.506 . . . . 0.0 109.688 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.55 -36.88 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.967 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.85 80.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.88 ' HB2' HD21 ' A' ' 473' ' ' LEU . 8.3 p -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.204 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 59.1 mt -56.57 -32.59 65.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.555 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.8 OUTLIER -68.14 -38.72 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.466 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 544' ' ' SER . 24.6 mt -62.1 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.483 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -81.61 -31.61 32.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.589 179.317 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.891 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.0 m-85 -54.66 -23.82 18.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.124 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.38 -28.92 2.28 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.053 0.454 . . . . 0.0 110.099 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.46 77.8 0.33 Allowed Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.757 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.86 -31.94 8.66 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.829 2.352 . . . . 0.0 112.637 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.08 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.324 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 557' ' ' GLU . 86.5 t -77.01 -42.55 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.088 0.47 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.875 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.77 -33.63 24.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.698 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -78.61 -51.71 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.509 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 554' ' ' VAL . 16.5 pt-20 -61.39 -42.5 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.074 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 554' ' ' VAL . 2.4 pp -72.62 -35.76 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.709 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.47 -41.88 97.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -50.41 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.669 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.8 -40.22 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.791 ' HA ' HD23 ' A' ' 565' ' ' LEU . 5.7 t -63.55 -53.42 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.722 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.73 -28.06 60.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.597 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.579 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 52.2 mm-40 -76.84 -23.99 52.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -77.74 -38.49 46.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.592 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.948 HD21 HG11 ' A' ' 498' ' ' VAL . 1.5 mt -86.93 -23.17 25.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.579 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.0 OUTLIER -64.73 -58.34 6.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -52.64 -38.28 60.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 566' ' ' LEU . 10.3 pt-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.804 0.335 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.67 -43.13 90.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.22 -48.85 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 0.0 110.493 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.678 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.82 -42.49 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 30.7 mt -56.54 -38.89 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' ASN . . . . . 0.404 ' O ' ' HG2' ' A' ' 470' ' ' ARG . 2.3 m-80 -62.77 -55.57 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.637 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -43.64 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.963 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -59.08 -32.56 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -81.28 -41.58 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 466' ' ' ASN . 16.0 mmm180 -60.96 -59.9 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.217 0.532 . . . . 0.0 109.894 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.412 HD12 ' OD1' ' A' ' 475' ' ' ASN . 1.5 pp -55.92 -38.82 70.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.72 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.88 -40.98 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.189 0.519 . . . . 0.0 109.943 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.716 HD21 ' HB3' ' A' ' 544' ' ' SER . 0.2 OUTLIER -68.36 -53.47 23.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.874 178.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.53 -24.63 65.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.464 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' ASN . . . . . 0.431 ' HB3' ' HG2' ' A' ' 493' ' ' MET . 1.2 m120 -70.77 -49.8 42.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.712 ' HE2' HD22 ' A' ' 473' ' ' LEU . 0.6 OUTLIER -70.61 -29.93 66.45 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.051 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.756 HD13 HD12 ' A' ' 480' ' ' LEU . 20.7 mm -60.23 -33.89 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.875 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -66.76 -46.97 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.683 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.585 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -63.53 -26.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.087 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.756 HD12 HD13 ' A' ' 477' ' ' ILE . 13.6 mt -61.49 -49.14 77.97 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.216 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.813 ' O ' HG23 ' A' ' 483' ' ' VAL . 5.6 mp0 -84.0 -11.64 56.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -30.84 -50.66 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.8 t 46.04 95.23 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.662 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 73.5 Cg_endo -76.09 133.17 30.1 Favored 'Cis proline' 0 C--N 1.349 0.564 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.202 -0.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.449 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 73.5 Cg_endo -74.46 158.41 44.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.318 2.012 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.769 ' O ' HG13 ' A' ' 490' ' ' VAL . 11.0 mmt180 -113.01 80.68 4.16 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.032 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.516 ' HA ' HG22 ' A' ' 490' ' ' VAL . 71.3 Cg_exo -48.2 -24.1 5.4 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.598 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.22 -26.49 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.098 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.422 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.3 t60 -87.22 -36.13 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.819 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.5 m -65.4 -37.01 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.521 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.737 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -61.98 -26.71 68.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.281 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 43.9 t30 -68.76 -56.22 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.594 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.431 ' HG2' ' HB3' ' A' ' 475' ' ' ASN . 0.0 OUTLIER -55.18 -27.7 47.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.618 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 490' ' ' VAL . 4.0 mm? -64.76 -51.75 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.421 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 6.5 ptmt -56.71 -27.41 59.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.421 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.1 OUTLIER -74.25 -49.74 21.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.967 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.652 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -60.35 -42.62 96.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 179.632 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 566' ' ' LEU . 60.0 t -60.11 -43.57 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.335 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.4 62.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -76.95 -51.28 11.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 498' ' ' VAL . 0.2 OUTLIER -57.89 -29.08 64.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.854 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 12.5 mt-30 -74.35 -37.55 63.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -64.78 -33.21 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.437 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' ASP . . . . . 0.4 ' HB3' ' CG1' ' A' ' 537' ' ' ILE . 0.5 OUTLIER -65.99 -50.45 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.503 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.54 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.4 OUTLIER -58.65 -45.72 88.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.334 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -64.51 -28.98 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.5 -34.61 65.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.305 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 530' ' ' VAL . 88.6 m -60.58 -44.71 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.37 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -51.7 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -51.92 -39.22 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.887 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.562 ' O ' HG12 ' A' ' 515' ' ' VAL . 2.8 m-70 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 516' ' ' ARG . 0.3 OUTLIER -54.12 -48.07 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.146 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.39 -36.54 66.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.49 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -59.7 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.562 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.092 HG11 HD11 ' A' ' 526' ' ' ILE . 8.3 p -61.19 -24.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 5.8 tpt180 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.687 0.279 . . . . 0.0 111.081 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 56.2 mtm -82.56 -22.85 34.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.173 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -43.96 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.643 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 515' ' ' VAL . 0.3 OUTLIER -122.27 79.69 44.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.397 -179.447 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.47 -55.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.438 2.092 . . . . 0.0 112.002 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -57.59 -48.71 78.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.586 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.417 ' CE ' ' CG2' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -58.83 -40.32 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.316 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.469 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -52.76 -33.83 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.78 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.38 -33.16 61.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.764 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -76.49 -31.44 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.092 HD11 HG11 ' A' ' 515' ' ' VAL . 11.3 pt -92.87 -15.82 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.223 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 19.8 m -50.65 -28.09 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.026 0.441 . . . . 0.0 110.247 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.603 ' O ' HG22 ' A' ' 532' ' ' THR . 1.1 tt0 -82.97 -37.54 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.661 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.525 HG13 HG23 ' A' ' 508' ' ' THR . 49.0 t -69.04 -32.61 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.08 179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.632 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.7 mmt -65.41 -48.98 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.517 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.2 t -63.33 -25.27 68.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.306 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.835 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.3 OUTLIER -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.197 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -67.21 -53.18 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.537 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 16.5 ptt180 -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 532' ' ' THR . 2.4 t -65.51 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -58.85 -49.09 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.352 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.19 -33.06 50.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.83 -54.77 25.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.103 0.477 . . . . 0.0 110.404 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.408 ' HG3' HG13 ' A' ' 536' ' ' VAL . 0.6 OUTLIER -58.01 -32.88 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.204 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 4.6 ttm -58.1 -36.25 72.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.83 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.42 -37.09 85.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.806 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -40.95 88.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.074 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.716 ' HB3' HD21 ' A' ' 473' ' ' LEU . 6.1 m -64.14 -43.42 95.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.589 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.89 -42.79 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -36.57 67.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 544' ' ' SER . 28.0 mt -58.75 -53.92 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.993 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.913 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -76.63 -28.96 56.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.431 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.913 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.6 m-85 -60.28 -19.77 56.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.407 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 87.3 m-20 -47.67 -29.15 2.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.141 0.496 . . . . 0.0 110.155 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 76.76 0.34 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.736 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 2.1 Cg_endo -45.93 -30.4 7.01 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.0 112.523 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.16 -54.06 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.68 -45.43 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.826 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.16 -33.52 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.67 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.69 -51.51 11.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.366 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.03 -42.59 94.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.729 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.601 HG21 HG21 ' A' ' 490' ' ' VAL . 2.6 pp -71.72 -40.26 69.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.76 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.514 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.7 mm-40 -62.12 -44.36 96.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -48.21 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.064 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.17 -39.17 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.474 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.937 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.8 t -60.03 -50.68 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.4 t70 -58.58 -40.52 83.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.476 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 5.0 mm-40 -66.9 -24.55 66.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.442 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.37 -31.49 58.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 111.57 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mp -84.17 -18.58 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 11.1 mm-40 -58.73 -52.24 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.645 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -91.23 -24.56 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.506 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.696 0.284 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 84.6 t -55.23 -43.32 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.103 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 465' ' ' LEU . 6.8 mt-10 -51.97 -42.04 62.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.016 0.436 . . . . 0.0 110.667 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.853 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -37.83 88.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.689 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 462' ' ' GLU . 1.2 mt -63.28 -43.59 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -62.58 -38.93 92.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.403 ' O ' HD23 ' A' ' 471' ' ' LEU . 47.3 m-20 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.675 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 9.6 mtt85 -58.77 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -82.49 -40.47 21.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -62.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 467' ' ' ASP . 1.5 pp -57.32 -36.97 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.537 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -66.84 -37.38 84.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 110.046 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.458 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.2 tm? -72.9 -47.73 43.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.91 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.82 -28.09 69.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.363 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -70.15 -48.04 59.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.521 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -64.37 -37.44 87.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.166 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.514 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -57.64 -34.76 48.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.278 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 75.2 m -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.902 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.139 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.1 mt -59.18 -41.99 89.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.234 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.792 ' O ' HG23 ' A' ' 483' ' ' VAL . 60.9 mm-40 -80.47 -13.27 59.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -31.89 -51.58 0.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 481' ' ' GLN . 40.8 t 42.97 96.53 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.007 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 74.4 Cg_endo -75.25 134.25 35.04 Favored 'Cis proline' 0 C--N 1.349 0.578 0 C-N-CA 123.425 -1.489 . . . . 0.0 112.231 -0.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 73.3 Cg_endo -75.71 158.11 39.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.343 2.029 . . . . 0.0 112.425 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.551 ' O ' HG13 ' A' ' 490' ' ' VAL . 4.9 mmt85 -111.12 80.07 2.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 490' ' ' VAL . 79.8 Cg_exo -44.32 -26.97 1.8 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.694 2.263 . . . . 0.0 112.93 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -25.98 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.518 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 489' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.82 -38.06 17.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 486' ' ' ARG . 5.6 m -63.94 -35.82 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.44 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -54.22 -35.01 61.96 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.968 0.414 . . . . 0.0 110.0 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.448 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 36.0 t30 -67.19 -45.52 76.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.983 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.497 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -60.25 -47.63 85.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.089 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 498' ' ' VAL . 2.6 mm? -59.29 -48.81 80.24 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.727 ' HG3' HD13 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.06 -35.45 59.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.621 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 497' ' ' TYR . 0.0 OUTLIER -72.27 -47.11 52.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.11 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.477 ' N ' ' HG2' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -61.58 -42.34 98.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.693 179.235 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.898 HG11 HD21 ' A' ' 566' ' ' LEU . 85.2 t -59.09 -49.45 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.621 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.0 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 497' ' ' TYR . . . -74.23 -49.22 24.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.775 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 498' ' ' VAL . 0.8 OUTLIER -58.57 -28.95 66.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 26.4 mt-30 -69.45 -41.22 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.272 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -60.43 -27.78 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.598 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.08 -44.72 45.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.547 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -57.63 -51.06 71.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.541 179.699 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.77 -27.49 68.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.465 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -32.77 71.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.403 HG22 ' CG1' ' A' ' 530' ' ' VAL . 51.4 m -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.527 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.9 mp -56.38 -37.2 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -45.43 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.725 ' O ' HG12 ' A' ' 515' ' ' VAL . 6.8 m80 -64.92 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.681 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -54.27 -49.89 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.77 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -81.69 -37.2 27.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.985 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' HIS . . . . . 0.541 ' O ' HG22 ' A' ' 518' ' ' VAL . 1.5 t60 -64.23 -56.66 13.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.729 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.074 HG11 HD11 ' A' ' 526' ' ' ILE . 4.8 p -62.12 -30.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -24.16 64.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 517' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.5 OUTLIER -89.03 -48.51 7.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.067 0.461 . . . . 0.0 110.661 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 514' ' ' HIS . 22.3 m -76.2 -46.85 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.524 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 518' ' ' VAL . 2.7 t0 -129.62 76.52 78.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.205 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.12 -33.29 91.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.611 2.207 . . . . 0.0 112.332 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -62.91 -55.89 22.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.589 ' HD2' HD13 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -72.09 -30.36 65.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.485 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -53.57 -37.26 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.414 ' HA ' ' HD2' ' A' ' 527' ' ' ARG . . . -73.62 -29.83 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.101 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -80.57 -28.85 37.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.238 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.074 HD11 HG11 ' A' ' 515' ' ' VAL . 28.4 pt -87.87 -19.45 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.706 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.681 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.0 -51.87 3.21 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.784 0.326 . . . . 0.0 111.721 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -35.64 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.632 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.774 ' O ' HG22 ' A' ' 532' ' ' THR . 1.0 OUTLIER -73.89 -41.8 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.015 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 526' ' ' ILE . 29.1 t -61.59 -32.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.17 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.597 ' HA ' HD12 ' A' ' 534' ' ' LEU . 1.3 mmt -62.34 -54.55 38.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.6 t -55.96 -26.27 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.395 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -49.1 79.0 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.474 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -63.02 -40.08 96.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 531' ' ' MET . 7.6 mmt85 -62.08 -45.65 92.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.222 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 540' ' ' ARG . 28.8 t -55.03 -34.3 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.651 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -59.59 -54.73 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 179.702 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 538' ' ' TYR . . . . . 0.472 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -77.47 -37.56 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.66 -54.58 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.448 ' CG ' HG13 ' A' ' 536' ' ' VAL . 3.3 mmm180 -54.62 -39.44 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.407 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.618 ' HE1' HG13 ' A' ' 498' ' ' VAL . 4.2 ttm -54.67 -35.05 63.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.211 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.55 -34.08 76.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.41 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -66.96 -44.81 79.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.519 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.858 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.4 m -59.92 -35.84 75.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.706 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 545' ' ' LEU . 44.8 mt -60.8 -53.93 51.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 21.5 p -49.85 -35.53 23.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.858 HD12 ' HA ' ' A' ' 544' ' ' SER . 24.5 mt -61.99 -41.43 98.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -84.94 -30.99 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.923 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.6 m-85 -57.08 -22.28 38.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.242 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.404 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 79.9 m-20 -47.66 -29.27 2.87 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.223 0.535 . . . . 0.0 110.027 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.5 t -105.37 77.02 0.35 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.79 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.6 Cg_endo -45.47 -31.02 6.36 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.867 2.378 . . . . 0.0 112.469 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.88 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.016 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.429 ' H ' HG12 ' A' ' 551' ' ' VAL . 93.6 t -74.45 -43.58 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.885 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.0 -31.55 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.87 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.12 -49.62 12.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 111.512 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.83 -49.65 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.151 0.501 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.55 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -63.36 -38.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.629 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -62.72 -38.08 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 111.203 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.22 -50.46 73.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.996 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.88 -38.08 28.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.713 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 565' ' ' LEU . 8.2 t -62.95 -55.2 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.746 0.308 . . . . 0.0 110.754 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 10.1 t0 -59.06 -36.43 75.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.203 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.554 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.97 -24.86 64.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.105 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -73.6 -36.62 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.13 -179.126 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.898 HD21 HG11 ' A' ' 498' ' ' VAL . 1.8 mp -86.73 -16.22 37.07 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.554 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 17.5 mt-30 -54.93 -47.66 74.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -45.63 89.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.899 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.962 0.411 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.57 -42.84 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.601 ' HA ' HD12 ' A' ' 465' ' ' LEU . 10.4 mt-10 -51.7 -44.13 63.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.83 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -39.62 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.829 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 462' ' ' GLU . 8.6 mt -64.16 -37.63 88.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -63.28 -37.64 88.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -43.81 98.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.583 ' HA ' HD23 ' A' ' 471' ' ' LEU . 0.6 OUTLIER -59.29 -40.76 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.8 ttp-105 -79.06 -36.33 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -46.74 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.532 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 468' ' ' ARG . 0.8 OUTLIER -61.9 -36.91 82.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.38 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -64.7 -48.85 73.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.508 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.561 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -67.07 -41.42 86.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.935 179.327 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.19 -26.99 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.321 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' ASN . . . . . 0.479 ' OD1' HD12 ' A' ' 471' ' ' LEU . 3.0 m120 -64.95 -51.41 61.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' A' ' 473' ' ' LEU . 1.9 p90 -63.01 -33.97 76.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.967 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.654 HD13 HD12 ' A' ' 480' ' ' LEU . 22.6 mm -54.68 -34.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.109 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.3 m -68.06 -47.22 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.744 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.456 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -61.9 -27.17 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.07 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.654 HD12 HD13 ' A' ' 477' ' ' ILE . 14.4 mt -59.82 -49.13 78.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.226 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.804 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.9 mp0 -80.37 -11.76 59.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.472 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -31.44 -50.69 0.18 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.985 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 481' ' ' GLN . 47.8 t 44.29 96.22 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.819 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 7.6 Cg_exo -72.95 134.3 34.41 Favored 'Cis proline' 0 C--N 1.348 0.549 0 C-N-CA 123.799 -1.334 . . . . 0.0 112.06 -0.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 98.9 Cg_endo -79.4 158.01 25.76 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.392 2.061 . . . . 0.0 112.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.697 ' O ' HG13 ' A' ' 490' ' ' VAL . 4.4 mtt-85 -113.45 78.47 3.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 490' ' ' VAL . 71.0 Cg_exo -48.15 -24.82 6.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.507 2.138 . . . . 0.0 112.614 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 -26.67 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.332 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.8 OUTLIER -86.36 -37.54 18.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.015 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.765 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.9 m -63.98 -36.0 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.32 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.518 ' CE2' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.26 -32.59 62.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.357 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.415 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 18.6 t-20 -67.92 -54.85 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.351 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -56.18 -25.53 47.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.9 mm? -67.18 -52.62 39.09 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 0.5 OUTLIER -54.6 -27.61 40.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.807 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -70.32 -55.55 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.038 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 497' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -32.61 53.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.858 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.866 HG11 ' CD2' ' A' ' 566' ' ' LEU . 81.0 t -72.68 -46.3 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.075 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -25.96 40.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.83 -43.41 54.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.017 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 498' ' ' VAL . 1.2 pt-20 -62.49 -28.44 69.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.47 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 502' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 34.7 mt-30 -65.73 -55.17 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.299 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.53 -42.03 65.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.644 ' HA ' HD13 ' A' ' 537' ' ' ILE . 9.4 ttp-105 -60.07 -55.29 35.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.395 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -28.2 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -33.59 72.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.088 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.82 HG21 ' HB2' ' A' ' 534' ' ' LEU . 82.9 m -58.21 -52.92 63.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.0 mp -61.16 -41.31 96.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -64.26 -39.2 93.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.565 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.581 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.5 OUTLIER -57.28 -35.36 69.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 110.477 179.59 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.526 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.3 OUTLIER -61.1 -54.69 41.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.484 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -70.97 -28.97 64.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.194 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -66.71 -60.87 2.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.933 HG11 HD11 ' A' ' 526' ' ' ILE . 12.9 p -60.98 -21.32 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.98 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -77.74 -23.52 49.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.727 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 27.1 mtp -85.28 -22.37 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.85 -42.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 111.495 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 17.7 m-20 -130.24 74.35 80.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.112 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.16 -39.2 71.06 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.596 2.197 . . . . 0.0 112.257 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.609 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -73.24 -26.34 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -56.47 -37.89 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.54 62.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -76.06 -26.3 56.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.933 HD11 HG11 ' A' ' 515' ' ' VAL . 36.4 pt -86.18 -6.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.723 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.457 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.37 -47.68 3.59 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.841 0.353 . . . . 0.0 111.55 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 73.3 m -62.84 -32.73 74.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.761 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.576 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -74.58 -47.55 31.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.358 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.526 HG11 ' CD2' ' A' ' 512' ' ' PHE . 42.3 t -63.79 -32.38 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.341 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.0 mmt -69.26 -50.12 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.617 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 536' ' ' VAL . 11.6 t -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.869 0.366 . . . . 0.0 110.286 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.555 ' O ' HD12 ' A' ' 537' ' ' ILE . 7.7 t-160 -58.01 -40.63 81.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.112 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.82 ' HB2' HG21 ' A' ' 508' ' ' THR . 2.5 tm? -64.52 -45.27 87.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.122 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 11.0 mtp85 -64.17 -36.26 83.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 532' ' ' THR . 42.0 t -59.44 -37.91 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.219 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.644 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.57 -53.3 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.272 179.44 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.46 -42.85 52.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.09 -52.19 66.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.508 ' CG ' HG13 ' A' ' 536' ' ' VAL . 4.2 mmt85 -56.85 -36.04 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.661 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.728 ' HE1' HG13 ' A' ' 498' ' ' VAL . 6.4 ttm -56.89 -35.5 69.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.005 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ASN . . . . . 0.415 ' HA ' HD12 ' A' ' 545' ' ' LEU . 0.3 OUTLIER -68.33 -33.04 73.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.295 179.433 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.81 -41.53 95.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.581 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.0 OUTLIER -60.4 -38.16 83.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.532 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.421 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 42.8 mt -62.87 -33.03 74.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -41.43 81.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.3 mt -60.03 -41.21 91.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.003 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.913 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.64 -29.86 23.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.216 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.913 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.3 m-85 -58.55 -20.98 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.394 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.54 -29.11 2.59 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.052 0.454 . . . . 0.0 110.156 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.3 t -104.56 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.043 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.37 -30.55 8.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.82 2.347 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -54.02 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 551' ' ' VAL . 94.2 t -75.67 -45.51 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.835 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -49.62 -35.47 21.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.698 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.4 -52.02 13.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.409 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.023 0.44 . . . . 0.0 110.575 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.29 -36.42 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.726 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.48 -37.99 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -52.67 64.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.01 -36.3 64.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.366 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.959 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.4 t -64.67 -56.87 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.712 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.86 -27.68 60.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 44.8 mt-10 -79.87 -22.73 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.959 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -82.07 -35.56 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.352 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.866 ' CD2' HG11 ' A' ' 498' ' ' VAL . 1.2 mp -87.02 -17.07 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pt20 -57.11 -52.15 66.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 110.74 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.31 -48.13 83.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.95 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.73 0.3 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.9 -42.16 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 465' ' ' LEU . 8.0 pt-20 -52.21 -50.08 62.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.129 0.49 . . . . 0.0 110.437 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.77 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -41.21 77.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.816 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 462' ' ' GLU . 19.8 mt -60.05 -37.66 80.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.781 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.93 -39.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.25 -51.39 61.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.408 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 5.2 mtp85 -59.82 -27.96 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.53 -46.71 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.93 86.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 468' ' ' ARG . 0.9 OUTLIER -67.44 -38.7 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.08 -37.09 80.83 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.019 0.437 . . . . 0.0 110.335 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.819 HD21 ' OG ' ' A' ' 544' ' ' SER . 0.5 OUTLIER -75.64 -46.32 32.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.801 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.98 -25.0 66.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.695 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -72.3 -45.95 57.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.55 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.2 -39.52 86.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.622 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.52 HD13 HD12 ' A' ' 480' ' ' LEU . 19.2 mm -56.26 -34.88 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -56.69 -46.79 80.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.93 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.785 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.76 -31.16 72.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.227 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' A' ' 548' ' ' LEU . 5.9 mt -61.61 -44.21 97.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.227 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 483' ' ' VAL . 76.3 mm-40 -87.37 -13.36 43.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.447 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -35.6 -56.48 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.965 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.1 t 49.74 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.493 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 13.1 Cg_exo -69.73 134.54 29.85 Favored 'Cis proline' 0 C--N 1.349 0.554 0 C-N-CA 123.565 -1.431 . . . . 0.0 112.08 -0.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.62 151.59 10.19 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.551 2.168 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.921 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.8 mtt-85 -103.13 80.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.496 ' O ' HG22 ' A' ' 558' ' ' ILE . 7.0 Cg_endo -49.38 -23.79 7.77 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.677 2.252 . . . . 0.0 112.401 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 488' ' ' ARG . . . . . 0.415 ' CD ' ' H ' ' A' ' 488' ' ' ARG . 0.0 OUTLIER -86.32 -28.07 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -87.39 -35.05 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.7 m -64.12 -36.58 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.397 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.717 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.76 -23.98 66.85 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.231 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 50.8 t30 -67.71 -58.96 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.1 -30.22 15.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 110.508 179.687 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.6 mm? -61.35 -53.24 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.44 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -57.56 -27.48 62.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.892 -179.799 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.44 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -75.53 -50.64 15.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.849 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.69 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -61.12 -31.75 71.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.85 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 494' ' ' LEU . 95.2 t -65.23 -51.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.639 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -28.45 36.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.74 78.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.419 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 0.8 OUTLIER -66.8 -48.29 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -52.21 -34.23 44.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -75.39 -26.4 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.445 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' ASP . . . . . 0.442 ' OD1' HD13 ' A' ' 465' ' ' LEU . 0.7 OUTLIER -75.95 -42.41 48.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -36.27 79.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.183 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -62.04 -32.43 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.594 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -66.69 -38.93 87.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.803 HG21 ' HB2' ' A' ' 534' ' ' LEU . 94.5 m -55.93 -46.9 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 509' ' ' LEU . 0.7 OUTLIER -58.39 -54.08 51.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.478 179.486 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.42 -38.29 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.671 ' O ' HG12 ' A' ' 515' ' ' VAL . 9.1 m80 -57.39 -35.55 70.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.741 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.457 ' CZ ' ' HB ' ' A' ' 530' ' ' VAL . 0.2 OUTLIER -63.1 -56.51 16.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.876 179.785 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.25 -28.63 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.413 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -65.48 -60.24 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.974 HG11 HD11 ' A' ' 526' ' ' ILE . 12.3 p -61.32 -21.75 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -79.54 -23.24 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 21.6 mtp -83.39 -24.78 31.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.776 0.322 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.6 m -110.05 -41.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.89 75.67 71.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.83 -49.9 14.2 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.599 2.2 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -52.74 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -62.38 -36.96 83.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.56 -32.6 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.189 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.33 54.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.197 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -80.32 -24.5 39.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.974 HD11 HG11 ' A' ' 515' ' ' VAL . 23.7 pt -91.63 -11.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.831 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.452 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.9 OUTLIER -41.14 -48.76 3.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.772 0.32 . . . . 0.0 111.567 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -62.35 -33.45 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.721 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 532' ' ' THR . 0.4 OUTLIER -75.51 -48.75 21.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.227 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.457 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 46.1 t -60.35 -32.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.17 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.426 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 4.6 mmt -67.37 -54.88 16.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.4 t -58.27 -32.89 68.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.45 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -58.71 -37.92 77.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.079 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.803 ' HB2' HG21 ' A' ' 508' ' ' THR . 2.5 tm? -70.74 -43.52 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.283 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 531' ' ' MET . 2.0 mtp-105 -65.14 -37.22 86.72 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.574 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.673 HG13 ' HG3' ' A' ' 540' ' ' ARG . 5.9 t -57.75 -35.01 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.135 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 538' ' ' TYR . 0.2 OUTLIER -61.38 -51.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.411 179.435 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 538' ' ' TYR . . . . . 0.466 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.54 -40.39 56.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.14 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.45 -53.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.673 ' HG3' HG13 ' A' ' 536' ' ' VAL . 5.6 mtm180 -57.96 -33.26 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 31.8 ttm -58.9 -35.28 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.055 0.455 . . . . 0.0 110.031 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.406 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.47 -39.55 94.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.819 ' OG ' HD21 ' A' ' 473' ' ' LEU . 9.7 t -62.34 -42.49 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.5 mt -63.25 -28.37 69.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.622 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 13.8 t -72.21 -34.05 68.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 0.0 110.494 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 544' ' ' SER . 23.4 mt -62.37 -40.21 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.511 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.71 -31.94 22.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.13 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.931 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.1 OUTLIER -55.96 -22.28 25.61 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.063 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.41 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 88.4 m-20 -48.47 -28.85 3.56 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.466 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.3 t -106.3 75.15 0.35 Allowed Pre-proline 0 N--CA 1.454 -0.229 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.703 178.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.6 Cg_endo -45.34 -28.92 4.15 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.8 2.334 . . . . 0.0 112.329 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.43 -54.07 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.466 ' H ' HG12 ' A' ' 551' ' ' VAL . 69.2 t -74.16 -42.77 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.414 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.856 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.47 -36.12 54.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.599 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.89 -50.73 22.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.76 -44.44 96.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 487' ' ' PRO . 2.5 pp -70.85 -36.9 66.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.576 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 11.5 mm100 -62.1 -45.25 94.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 111.161 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -46.39 85.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -78.57 -35.87 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.477 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.942 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.4 t -61.35 -53.86 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.773 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.7 t0 -58.95 -38.99 80.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.483 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.416 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.942 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.04 -32.09 59.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.556 -179.334 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.2 mt -86.78 -15.51 39.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 5.7 mm100 -54.92 -50.99 67.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.405 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -58.26 -36.68 73.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.877 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.065 0.46 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.03 -43.67 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.37 -44.73 65.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.524 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.7 71.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -39.1 83.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -31.37 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.54 -37.93 74.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -51.64 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.4 ' HA ' HD23 ' A' ' 471' ' ' LEU . 0.0 OUTLIER -60.0 -28.74 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.792 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -83.71 -50.39 8.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -45.28 93.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.457 HD12 ' OD1' ' A' ' 475' ' ' ASN . 0.4 OUTLIER -66.29 -35.27 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.404 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -69.02 -45.63 70.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.482 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -68.19 -42.2 80.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.115 179.344 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.35 -27.65 69.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' ASN . . . . . 0.457 ' OD1' HD12 ' A' ' 471' ' ' LEU . 2.7 m120 -65.08 -51.91 58.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.493 ' CD2' HD22 ' A' ' 494' ' ' LEU . 2.0 p90 -62.74 -34.58 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.052 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 480' ' ' LEU . 23.1 mm -54.58 -34.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.223 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.1 m -68.35 -47.34 67.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.573 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.631 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.49 -18.53 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.336 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.689 HD12 HD13 ' A' ' 477' ' ' ILE . 14.4 mt -68.88 -47.28 66.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.323 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.721 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.8 mp0 -80.46 -12.62 59.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -33.88 -51.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.755 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 481' ' ' GLN . 41.1 t 43.47 94.7 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.88 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -71.42 134.01 30.72 Favored 'Cis proline' 0 C--N 1.347 0.448 0 C-N-CA 123.647 -1.397 . . . . 0.0 111.978 -0.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.606 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 82.4 Cg_endo -77.98 170.19 19.26 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.378 2.052 . . . . 0.0 112.233 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.663 ' O ' HG13 ' A' ' 490' ' ' VAL . 17.3 mtt85 -116.35 73.14 5.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.486 ' HA ' HG22 ' A' ' 490' ' ' VAL . 88.3 Cg_exo -46.21 -25.82 3.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.579 2.186 . . . . 0.0 112.682 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -27.11 24.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.352 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 8.8 t-160 -86.34 -36.23 19.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.501 0.667 . . . . 0.0 109.265 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.785 ' O ' HD23 ' A' ' 494' ' ' LEU . 4.4 m -65.71 -36.33 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.531 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.478 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -59.51 -27.44 66.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.365 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 10.3 t-20 -70.18 -55.89 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.313 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -54.83 -29.36 54.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 179.415 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.9 mm? -63.92 -53.61 47.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.803 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.688 ' CB ' HD11 ' A' ' 565' ' ' LEU . 1.1 ptmt -53.88 -26.65 25.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.793 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.447 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -76.2 -54.32 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.101 179.214 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.408 ' CE2' ' OE2' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -56.72 -37.91 71.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.95 HG22 ' HE2' ' A' ' 541' ' ' MET . 77.9 t -68.02 -47.51 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.464 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -26.13 61.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.677 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.8 -39.37 69.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.408 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 2.0 mt-10 -67.15 -42.97 83.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.391 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -55.04 -42.5 72.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.489 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' ASP . . . . . 0.589 ' OD1' HD11 ' A' ' 537' ' ' ILE . 5.4 t70 -66.45 -46.81 75.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.596 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -56.08 -49.24 74.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.424 179.659 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -66.65 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.153 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -69.99 -31.9 69.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.162 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 530' ' ' VAL . 67.1 m -61.04 -52.52 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.8 mp -56.88 -33.7 67.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -63.11 -45.76 90.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.682 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.3 OUTLIER -60.24 -32.77 71.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.712 179.789 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -58.73 -53.91 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.609 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.82 -37.77 64.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.12 -55.25 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.761 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.994 HG11 HD11 ' A' ' 526' ' ' ILE . 7.4 p -60.79 -24.81 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -74.75 -23.29 58.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 32.9 mtm -86.45 -23.76 25.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.366 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.84 -41.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.403 ' CB ' ' HG2' ' A' ' 522' ' ' LYS . 26.9 m-20 -130.9 73.98 80.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -40.35 78.32 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.613 2.208 . . . . 0.0 112.172 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.34 -54.62 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -68.49 -28.02 66.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -58.76 -34.03 70.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.36 57.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' GLN . . . . . 0.407 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 7.2 mt-30 -77.02 -27.25 54.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.994 HD11 HG11 ' A' ' 515' ' ' VAL . 28.2 pt -84.16 -12.31 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.615 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.08 -43.97 2.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.821 0.344 . . . . 0.0 111.617 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -76.54 -30.94 57.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.865 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -72.91 -46.83 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.529 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 512' ' ' PHE . 60.2 t -63.27 -32.86 57.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.619 ' HA ' HD12 ' A' ' 534' ' ' LEU . 2.1 mmt -61.82 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.743 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.865 HG22 ' O ' ' A' ' 529' ' ' GLN . 6.0 t -66.67 -25.29 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.399 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.864 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -62.81 -40.36 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.07 179.44 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -66.27 -54.83 20.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.253 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 8.5 ptm180 -62.35 -30.57 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 532' ' ' THR . 4.1 t -65.68 -35.7 75.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -58.72 -49.87 81.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.232 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -78.05 -36.85 47.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.6 -56.27 17.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.925 0.393 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -57.06 -33.04 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.408 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.95 ' HE2' HG22 ' A' ' 498' ' ' VAL . 5.1 ttm -58.46 -35.44 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.009 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -69.47 -32.61 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.374 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -64.57 -43.1 94.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.815 ' HA ' HD12 ' A' ' 547' ' ' LEU . 0.8 OUTLIER -62.94 -37.21 86.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.659 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.32 -37.83 75.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.5 t -64.89 -37.36 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.353 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.3 mt -59.5 -45.1 92.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -82.24 -28.89 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.318 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.906 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -59.61 -20.54 56.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.413 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 83.4 m-20 -47.05 -29.12 1.97 Allowed 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.155 0.502 . . . . 0.0 109.978 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.28 75.12 0.35 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.673 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 3.2 Cg_endo -46.78 -28.84 7.22 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.792 2.328 . . . . 0.0 112.364 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.23 48.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.81 -44.47 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.808 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.95 -31.28 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.57 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.05 -53.24 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.062 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.46 -45.26 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 562' ' ' VAL . 2.5 pp -64.8 -36.73 78.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -61.75 -36.68 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.7 -54.15 46.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.39 -35.55 65.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 558' ' ' ILE . 18.0 t -64.62 -55.24 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.78 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.03 -28.06 64.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.64 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.568 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.1 mt-10 -80.78 -24.63 38.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -82.14 -36.65 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.77 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.751 HD22 HG11 ' A' ' 498' ' ' VAL . 3.4 mt -86.76 -21.57 26.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.568 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pp0? -67.6 -59.58 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -27.98 29.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.93 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.884 0.373 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.69 -42.25 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.669 ' HA ' HD12 ' A' ' 465' ' ' LEU . 0.7 OUTLIER -52.54 -48.66 65.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.126 0.489 . . . . 0.0 110.616 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.792 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.9 -37.79 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.763 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 462' ' ' GLU . 5.9 mt -66.29 -34.52 78.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -70.0 -45.54 67.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -47.91 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 3.3 mtp-105 -58.15 -30.73 66.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -83.89 -48.31 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.772 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -50.2 74.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 468' ' ' ARG . 1.1 pp -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.648 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.23 -40.11 93.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.048 0.451 . . . . 0.0 110.173 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -71.18 -49.44 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.757 179.076 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.48 -26.0 68.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.422 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -70.4 -49.67 46.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.398 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.63 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -67.63 -32.49 73.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.212 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.781 HD13 HD12 ' A' ' 480' ' ' LEU . 14.9 mm -61.06 -33.44 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.974 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 80.2 m -60.42 -45.84 92.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.889 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.635 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.06 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 548' ' ' LEU . 11.1 mt -58.57 -41.57 85.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.322 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 483' ' ' VAL . 92.5 mm-40 -84.45 -13.46 52.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.359 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -37.11 -55.72 0.94 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.91 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 481' ' ' GLN . 46.8 t 48.06 96.31 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.642 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.75 134.73 32.58 Favored 'Cis proline' 0 C--N 1.348 0.504 0 C-N-CA 123.574 -1.427 . . . . 0.0 112.022 0.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -83.23 155.23 14.53 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.492 2.128 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.771 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.0 OUTLIER -103.25 79.54 0.32 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.512 ' HA ' HG22 ' A' ' 490' ' ' VAL . 8.0 Cg_endo -49.83 -23.03 7.99 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.628 2.218 . . . . 0.0 112.21 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -87.89 -27.05 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.9 t-160 -86.54 -36.2 19.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.85 -37.71 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.486 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.774 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.29 -24.4 67.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.29 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 22.9 t-20 -69.52 -54.51 13.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.647 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.448 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -54.83 -26.84 37.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 498' ' ' VAL . 4.0 mm? -68.02 -49.14 63.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.232 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 5.3 ptmt -57.39 -29.75 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.988 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -83.76 -47.84 10.73 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.117 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -55.03 -39.01 68.69 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 494' ' ' LEU . 59.5 t -63.95 -41.81 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.296 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.82 61.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.75 67.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.41 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.405 ' OE2' ' CE1' ' A' ' 497' ' ' TYR . 1.1 mt-10 -64.5 -48.32 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.026 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.53 -37.81 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.324 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.72 -33.3 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.109 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.65 -42.32 95.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.295 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.624 ' HA ' HD13 ' A' ' 537' ' ' ILE . 3.9 ttt-85 -59.98 -42.22 93.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.205 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.51 -29.91 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.086 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.987 HG22 HG13 ' A' ' 530' ' ' VAL . 9.2 m -63.01 -44.27 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.43 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.0 mp -55.98 -37.95 69.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.771 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.58 -49.21 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.732 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.813 ' O ' HG12 ' A' ' 515' ' ' VAL . 1.1 m-70 -57.82 -38.32 75.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.745 ' CD1' HG21 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -54.99 -51.39 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.549 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.71 -34.43 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.089 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -64.6 -58.51 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.925 HG11 ' CD1' ' A' ' 526' ' ' ILE . 14.6 p -60.48 -24.39 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.09 -23.39 54.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.1 mtm -84.84 -24.51 28.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.332 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -110.1 -41.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.427 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -126.91 80.26 71.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.72 -50.66 11.87 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.582 2.188 . . . . 0.0 112.359 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -51.49 69.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -40.57 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.802 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.23 -31.84 54.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.22 -30.27 57.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -74.64 -29.89 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.925 ' CD1' HG11 ' A' ' 515' ' ' VAL . 36.3 pt -85.33 -12.6 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.567 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.06 -44.06 2.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.788 0.328 . . . . 0.0 111.692 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -79.76 -30.08 40.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.682 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -75.34 -45.76 37.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.556 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.987 HG13 HG22 ' A' ' 508' ' ' THR . 63.8 t -62.79 -33.03 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.092 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.614 ' HA ' HD12 ' A' ' 534' ' ' LEU . 2.2 mmt -65.11 -52.86 52.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.448 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.1 t -58.56 -28.71 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.647 ' HB3' HG21 ' A' ' 508' ' ' THR . 0.1 OUTLIER -57.9 -46.1 85.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.561 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -64.09 -44.69 91.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.114 0.483 . . . . 0.0 109.809 179.121 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -58.37 -39.75 80.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.955 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.673 HG13 ' HG3' ' A' ' 540' ' ' ARG . 42.5 t -55.72 -40.5 61.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.708 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.624 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.65 -52.37 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.684 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -75.89 -40.34 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.301 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.49 -55.75 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.673 ' HG3' HG13 ' A' ' 536' ' ' VAL . 1.7 mtt180 -57.38 -30.09 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.4 ' HB2' ' HE3' ' A' ' 541' ' ' MET . 35.6 ttm -60.32 -36.35 77.73 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 542' ' ' ASN . . . . . 0.643 ' HA ' HD12 ' A' ' 545' ' ' LEU . 4.0 m-80 -65.89 -35.04 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.878 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.91 -44.69 86.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.475 ' HB3' HD21 ' A' ' 473' ' ' LEU . 0.9 OUTLIER -57.4 -39.15 75.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.083 179.102 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 542' ' ' ASN . 40.0 mt -60.31 -28.56 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.591 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 0.3 OUTLIER -69.01 -39.04 79.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 110.404 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 544' ' ' SER . 25.2 mt -60.57 -48.18 82.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.363 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -74.07 -31.51 62.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.45 179.175 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.904 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.3 OUTLIER -54.53 -23.99 18.83 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.859 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 89.1 m-20 -46.62 -29.2 1.73 Allowed 'General case' 0 C--N 1.339 0.109 0 CA-C-O 121.248 0.547 . . . . 0.0 109.561 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.1 t -107.23 74.5 0.4 Allowed Pre-proline 0 N--CA 1.456 -0.168 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.478 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.3 Cg_endo -45.16 -29.08 3.89 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.749 2.299 . . . . 0.0 112.558 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.44 -50.9 41.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.966 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 551' ' ' VAL . 70.9 t -77.76 -40.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.904 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.88 -34.09 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.795 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -77.97 -50.21 12.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.669 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 554' ' ' VAL . 14.7 pt-20 -61.48 -40.25 93.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.38 -38.9 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.745 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -63.88 -43.09 97.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 110.958 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.62 -47.27 84.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.025 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.04 -39.42 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.912 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.0 t -62.15 -54.77 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.767 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 1.8 m-20 -57.8 -35.22 70.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.386 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.514 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 63.9 mt-10 -71.39 -24.46 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.365 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.912 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -78.02 -32.89 51.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.837 -179.398 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.4 mt -86.82 -16.34 36.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.514 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 12.6 mt-30 -54.22 -45.96 72.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.928 0.394 . . . . 0.0 110.715 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -27.96 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.168 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.784 0.326 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.28 -43.51 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.22 -44.34 64.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.496 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.66 72.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.874 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -38.8 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.799 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.97 -36.52 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -72.89 -40.71 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.75 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.13 -51.97 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 44.1 mtt180 -57.3 -31.13 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -82.44 -45.98 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.737 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -52.21 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.223 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.2 pp -62.79 -36.95 84.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -66.1 -40.61 90.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.026 0.441 . . . . 0.0 110.386 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 473' ' ' LEU . 1.2 tm? -72.6 -46.28 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.819 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -27.0 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.505 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -70.27 -47.85 59.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.496 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -64.99 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.978 0.418 . . . . 0.0 110.087 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.548 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -57.4 -34.08 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.379 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 98.1 m -59.15 -46.64 87.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.01 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.64 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.25 -29.79 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.291 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.2 mt -60.81 -42.72 98.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.172 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.711 ' O ' HG23 ' A' ' 483' ' ' VAL . 83.5 mm-40 -87.19 -13.13 44.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.468 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -32.15 -54.83 0.31 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.8 t 45.67 96.91 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.853 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 11.7 Cg_exo -71.12 132.35 23.86 Favored 'Cis proline' 0 C--N 1.349 0.567 0 C-N-CA 123.746 -1.356 . . . . 0.0 111.922 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 484' ' ' PRO . 4.1 Cg_exo -79.2 160.39 26.41 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.549 2.166 . . . . 0.0 112.185 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.747 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.4 OUTLIER -112.58 81.08 3.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.97 -27.51 4.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.739 2.292 . . . . 0.0 112.981 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 488' ' ' ARG . . . . . 0.483 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -90.32 -21.08 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.479 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.483 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 10.1 t-160 -88.22 -37.77 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.1 m -62.92 -44.31 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.67 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.676 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.51 -28.57 55.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.914 0.388 . . . . 0.0 110.601 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 19.6 t30 -67.57 -51.21 53.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.742 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.496 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.64 -32.42 63.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 498' ' ' VAL . 2.8 mm? -61.81 -51.77 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 0.1 OUTLIER -55.68 -29.53 59.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.256 -179.525 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 493' ' ' MET . 8.1 mtpt -74.28 -48.92 25.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.1 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.425 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -62.75 -33.66 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.708 179.394 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 494' ' ' LEU . 91.8 t -65.11 -50.64 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.41 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -28.15 20.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -44.21 90.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.209 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -58.94 -43.04 91.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.598 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.84 -39.2 88.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.49 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.75 -34.08 71.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.427 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.526 ' HA ' HD13 ' A' ' 537' ' ' ILE . 13.6 ttt85 -58.85 -39.18 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.482 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -63.85 -32.64 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.607 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -38.57 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.437 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.402 HG21 ' HB2' ' A' ' 534' ' ' LEU . 31.8 m -61.85 -39.1 90.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.443 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -70.59 -39.73 73.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.34 179.615 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -72.6 -37.73 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.472 ' O ' HG12 ' A' ' 515' ' ' VAL . 5.9 m80 -59.78 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -59.08 -53.43 58.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.56 -28.89 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.233 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -67.91 -61.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.655 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.014 HG11 HD11 ' A' ' 526' ' ' ILE . 12.7 p -61.71 -21.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -28.49 62.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.878 0.371 . . . . 0.0 110.976 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 517' ' ' MET . . . . . 0.406 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.3 OUTLIER -79.36 -47.13 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 519' ' ' ASP . 13.7 m -79.52 -43.75 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.397 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 522' ' ' LYS . 14.4 m-20 -134.85 80.5 49.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.41 -53.17 5.02 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.343 2.029 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -58.6 -49.53 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 519' ' ' ASP . 0.0 OUTLIER -62.47 -36.85 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.528 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -55.6 -31.67 62.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.404 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -76.96 -30.84 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -74.31 -27.0 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.014 HD11 HG11 ' A' ' 515' ' ' VAL . 25.6 pt -91.28 -11.99 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.653 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.489 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 13.9 mtp180 -41.17 -49.49 3.54 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.831 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.27 71.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.627 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -77.91 -50.71 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.195 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 61.8 t -62.72 -30.81 50.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.094 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 1.7 mmt -69.17 -50.68 45.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 529' ' ' GLN . 7.4 t -60.19 -31.73 70.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.527 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -59.97 -42.59 94.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.255 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 534' ' ' LEU . 1.7 tm? -62.76 -44.05 97.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.032 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -61.19 -44.62 97.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.628 HG13 ' HG3' ' A' ' 540' ' ' ARG . 37.7 t -52.55 -40.32 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.691 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -55.47 -53.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.621 179.601 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 538' ' ' TYR . . . . . 0.433 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.67 -41.93 52.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.129 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -60.25 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.628 ' HG3' HG13 ' A' ' 536' ' ' VAL . 40.6 mtp85 -56.85 -36.78 70.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.73 -35.02 68.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.24 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.22 -31.11 68.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.85 -39.98 94.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.408 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 t -61.43 -42.96 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.368 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 549' ' ' TYR . 18.2 mt -68.44 -25.77 65.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.773 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.436 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 31.8 t -76.91 -39.82 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.122 0.487 . . . . 0.0 110.192 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 544' ' ' SER . 37.7 mt -59.93 -36.26 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.382 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.951 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.65 -29.67 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.008 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.894 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -54.66 -24.15 20.49 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -46.79 -29.61 2.03 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.174 0.511 . . . . 0.0 109.923 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.461 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.1 t -104.83 77.13 0.32 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.792 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.69 -27.42 5.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.715 2.277 . . . . 0.0 112.405 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.74 -53.87 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.461 ' H ' HG12 ' A' ' 551' ' ' VAL . 78.0 t -75.32 -42.64 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.664 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.63 -34.99 40.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.593 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.69 -50.94 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.06 -44.63 94.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.6 pp -69.86 -38.5 75.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.506 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.0 mm-40 -60.5 -41.56 94.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 111.147 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -50.33 74.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.67 -34.35 60.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.399 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.95 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.0 t -65.08 -56.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.66 -29.84 64.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 32.6 mt-10 -77.48 -23.2 50.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.212 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -80.83 -34.17 34.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.514 -179.545 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.442 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.5 mt -86.81 -17.67 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.7 pt20 -61.06 -52.98 62.65 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.139 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.94 -52.39 65.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.418 ' CG ' ' HA ' ' A' ' 566' ' ' LEU . 24.4 pt-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.032 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.661 0.267 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 71.3 t -56.54 -39.82 64.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -46.77 62.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 110.62 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.61 72.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.1 mtp -67.95 -42.84 80.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 29.4 mt -58.8 -40.4 83.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -65.24 -43.0 92.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.99 -48.36 80.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.709 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -58.04 -31.59 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -83.43 -46.16 12.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -50.75 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -62.87 -39.92 95.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.26 -39.59 92.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.087 0.47 . . . . 0.0 110.136 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.77 HD23 ' CE2' ' A' ' 497' ' ' TYR . 0.2 OUTLIER -70.22 -52.75 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.652 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.82 -25.23 66.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.187 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' ASN . . . . . 0.433 ' HB3' ' HG2' ' A' ' 493' ' ' MET . 1.1 m120 -68.49 -50.82 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.542 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.737 ' HE2' HD22 ' A' ' 473' ' ' LEU . 0.7 OUTLIER -70.23 -33.77 72.06 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.935 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.672 HD13 HD12 ' A' ' 480' ' ' LEU . 20.4 mm -60.07 -33.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.894 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 77.2 m -67.11 -46.45 74.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.671 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 482' ' ' ALA . . . -62.95 -28.04 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.129 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.672 HD12 HD13 ' A' ' 477' ' ' ILE . 11.8 mt -59.68 -45.84 90.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.81 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.8 mp0 -87.21 -11.73 48.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.578 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -29.22 -51.84 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 481' ' ' GLN . 62.7 t 47.04 95.57 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.512 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 71.0 Cg_endo -74.31 133.65 32.05 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.519 -1.45 . . . . 0.0 112.15 -0.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 78.6 Cg_endo -77.65 156.98 31.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.327 2.018 . . . . 0.0 112.245 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.924 ' O ' HG13 ' A' ' 490' ' ' VAL . 8.6 mtt85 -113.75 79.46 4.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.035 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.421 ' O ' HG22 ' A' ' 490' ' ' VAL . 75.2 Cg_exo -49.05 -28.59 14.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.45 2.1 . . . . 0.0 112.439 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -23.68 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 14.7 t-160 -87.75 -38.06 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.924 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.5 m -62.39 -36.36 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.712 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.529 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -58.39 -30.36 66.77 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.169 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.12 -45.92 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 475' ' ' ASN . 0.0 OUTLIER -59.29 -36.98 76.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.536 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 490' ' ' VAL . 4.0 mm? -58.2 -47.18 84.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.051 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.694 ' CD ' HD13 ' A' ' 565' ' ' LEU . 11.9 mtpt -49.34 -44.3 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.959 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 496' ' ' LYS . 0.3 OUTLIER -64.07 -47.06 81.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.77 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -66.74 -36.05 81.54 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 494' ' ' LEU . 75.5 t -70.21 -48.58 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.287 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -24.36 65.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.286 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.13 -37.07 72.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.36 -47.78 82.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.016 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -54.99 -35.59 64.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -69.06 -24.81 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.441 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -78.73 -37.34 41.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.379 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.438 ' HA ' HD13 ' A' ' 537' ' ' ILE . 12.1 ttt180 -59.22 -54.83 42.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.056 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -29.24 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.984 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -68.47 -34.87 76.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.771 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.54 HG22 HG12 ' A' ' 530' ' ' VAL . 47.8 m -58.21 -42.44 86.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.163 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -56.08 -53.7 53.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 179.168 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -56.67 -37.41 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.591 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.2 OUTLIER -57.36 -41.87 80.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.515 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.757 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.1 OUTLIER -54.07 -50.12 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.302 179.216 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.13 -32.86 61.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -57.37 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.994 HG11 HD11 ' A' ' 526' ' ' ILE . 11.8 p -62.32 -23.85 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.841 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.76 -23.26 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 13.3 mtm -83.2 -27.2 30.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.153 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 2.7 m -107.46 -39.82 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.17 70.39 78.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.99 -49.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.522 2.148 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -53.25 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.716 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -62.14 -36.33 81.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.07 -32.82 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.62 53.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -77.69 -24.99 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.994 HD11 HG11 ' A' ' 515' ' ' VAL . 31.0 pt -88.81 -8.07 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.878 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.544 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.55 -45.05 3.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.5 m -71.78 -30.2 65.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.801 ' O ' HG22 ' A' ' 532' ' ' THR . 0.4 OUTLIER -73.01 -44.79 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.428 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.757 HG11 ' CD2' ' A' ' 512' ' ' PHE . 11.7 t -58.6 -32.97 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.22 0.533 . . . . 0.0 110.427 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.588 ' HA ' HD12 ' A' ' 534' ' ' LEU . 5.9 mmt -63.34 -55.65 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.436 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.0 t -54.6 -26.43 32.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.278 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -50.79 72.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.196 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -59.61 -42.57 92.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.19 0.519 . . . . 0.0 109.945 179.144 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.419 ' H ' ' HG3' ' A' ' 535' ' ' ARG . 2.7 mtp-105 -61.6 -41.1 96.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.042 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 532' ' ' THR . 39.5 t -56.66 -38.32 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.588 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -55.84 -53.06 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.19 179.363 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.15 -46.73 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.71 -48.86 76.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.634 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.524 ' CG ' HG13 ' A' ' 536' ' ' VAL . 30.4 mmt-85 -59.23 -32.48 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.4 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.413 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 27.4 ttm -57.44 -37.02 72.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.027 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -68.44 -33.74 74.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.229 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -41.41 96.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.532 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.487 ' HB2' HD21 ' A' ' 473' ' ' LEU . 4.2 t -60.16 -44.02 95.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.409 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.434 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 51.1 mt -56.38 -31.78 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 2.3 m -70.6 -43.28 69.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.452 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.9 mt -60.7 -38.5 85.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.8 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.935 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -86.16 -29.64 23.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.212 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.908 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.0 OUTLIER -59.03 -20.82 56.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.746 0.308 . . . . 0.0 110.327 178.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -46.29 -29.64 1.72 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.962 0.41 . . . . 0.0 110.311 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.2 t -104.07 78.08 0.31 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.185 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -47.82 -27.39 8.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.608 2.205 . . . . 0.0 112.322 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 556' ' ' GLU . . . -71.17 -49.49 43.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.419 ' H ' HG12 ' A' ' 551' ' ' VAL . 91.9 t -81.56 -42.93 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.634 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.57 -36.15 55.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.93 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 553' ' ' ALA . 0.0 OUTLIER -75.48 -37.92 59.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.372 -179.509 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.67 -44.15 62.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.11 0.481 . . . . 0.0 110.145 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.488 HG21 HG21 ' A' ' 490' ' ' VAL . 2.6 pp -69.44 -35.59 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.2 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.6 mm-40 -60.37 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.367 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.55 -54.29 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.702 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.4 -35.8 71.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.289 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.529 HG23 ' HB2' ' A' ' 491' ' ' PHE . 3.1 t -63.69 -56.48 16.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.301 . . . . 0.0 110.348 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -50.87 -32.41 20.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.223 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 10.5 mt-10 -68.88 -26.58 65.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.237 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.694 HD13 ' CD ' ' A' ' 495' ' ' LYS . 0.5 OUTLIER -74.8 -38.42 62.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 111.527 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.2 mp -79.31 -16.87 55.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.532 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 13.8 mt-30 -56.06 -48.98 75.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.632 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -84.03 -32.05 25.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.486 179.75 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 87.3 t -59.14 -43.88 90.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.73 -43.71 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.02 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.687 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 5.0 mmm -67.26 -43.58 81.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.36 -34.8 79.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.17 -30.67 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.32 -58.45 6.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 3.0 ptm180 -57.25 -30.26 64.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.676 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.424 ' HG3' ' HG2' ' A' ' 501' ' ' GLU . 0.1 OUTLIER -78.35 -50.08 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.655 179.736 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -60.32 3.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 0.0 110.246 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.522 HD12 ' OD1' ' A' ' 475' ' ' ASN . 0.4 OUTLIER -53.19 -32.39 47.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.643 179.691 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -68.93 -49.98 53.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.628 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -68.79 -38.55 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.975 179.365 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.23 -25.06 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' ASN . . . . . 0.522 ' OD1' HD12 ' A' ' 471' ' ' LEU . 1.9 m120 -69.62 -51.24 36.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.19 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.469 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.4 OUTLIER -63.84 -36.65 84.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.11 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 15.2 mm -57.02 -34.28 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.332 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 83.8 m -66.99 -46.45 74.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -61.08 -27.81 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.189 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.8 mt -59.44 -50.95 71.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.408 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.667 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.3 mp0 -80.79 -12.79 59.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.759 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.63 -52.51 0.68 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.8 t 45.72 96.76 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.751 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.31 134.49 28.82 Favored 'Cis proline' 0 C--N 1.348 0.525 0 C-N-CA 123.538 -1.443 . . . . 0.0 112.006 -0.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 93.4 Cg_endo -86.49 155.13 9.18 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.524 2.149 . . . . 0.0 112.493 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.906 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.4 mtm-85 -105.7 76.38 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 490' ' ' VAL . 10.2 Cg_endo -53.26 -23.91 24.9 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.645 2.23 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.93 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.422 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.4 t-160 -87.95 -35.96 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.906 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.1 m -64.11 -34.96 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.502 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.484 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -60.65 -28.77 68.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.121 179.515 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 6.7 t30 -68.66 -55.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -52.01 -28.73 18.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.851 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.9 mm? -63.48 -54.57 34.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 11.9 ptmt -55.2 -26.18 37.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.005 179.228 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.402 ' OH ' ' HA ' ' A' ' 541' ' ' MET . 0.0 OUTLIER -59.26 -27.88 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.923 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 494' ' ' LEU . 75.1 t -73.09 -55.44 12.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.287 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -28.16 9.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.958 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.52 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.791 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.424 ' HG2' ' HG3' ' A' ' 469' ' ' ARG . 2.6 mt-10 -61.33 -44.83 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.493 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -55.9 -43.15 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.74 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.677 ' HA ' HD13 ' A' ' 537' ' ' ILE . 3.9 ttp180 -59.02 -39.59 82.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.666 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -31.96 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -32.43 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 533' ' ' HIS . 91.2 m -67.15 -31.9 72.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.588 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -68.96 -40.04 79.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.202 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -59.55 -41.36 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.788 ' O ' HG12 ' A' ' 515' ' ' VAL . 8.5 m80 -60.01 -42.52 94.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.97 -47.83 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.971 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -81.54 -39.33 24.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 518' ' ' VAL . 2.5 t-160 -63.53 -55.64 22.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 526' ' ' ILE . 8.5 p -65.01 -28.49 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.264 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.53 -23.53 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 68.7 mtm -89.86 -15.35 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 514' ' ' HIS . 21.8 m -116.37 -46.2 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 111.512 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 518' ' ' VAL . 29.1 m-20 -125.25 74.02 67.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.291 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.45 -31.66 88.19 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.645 2.23 . . . . 0.0 112.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.24 -57.08 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.554 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -75.05 -27.11 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -55.08 -39.6 69.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.419 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -72.52 -31.01 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -76.23 -28.85 57.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.054 HD11 HG11 ' A' ' 515' ' ' VAL . 36.2 pt -85.43 -17.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.503 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 20.9 mtp180 -40.99 -52.37 3.14 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.666 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -36.06 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.896 0.379 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.768 ' O ' HG22 ' A' ' 532' ' ' THR . 0.6 OUTLIER -74.58 -38.44 62.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.242 179.769 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 526' ' ' ILE . 21.9 t -69.62 -34.51 61.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.442 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.617 ' HA ' HD12 ' A' ' 534' ' ' LEU . 9.8 mmt -64.28 -41.25 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.46 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 529' ' ' GLN . 11.5 t -68.49 -26.21 65.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.747 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -62.6 -39.85 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.52 -53.96 19.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.184 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.517 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 9.2 ptm180 -63.63 -29.53 70.76 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.235 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -64.25 -37.22 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -57.93 -53.16 49.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.99 179.112 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 538' ' ' TYR . . . . . 0.405 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.7 OUTLIER -72.9 -46.29 53.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.658 179.676 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -56.3 -47.46 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -58.1 -33.21 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.445 ' HB2' ' HE3' ' A' ' 541' ' ' MET . 21.5 ttm -58.25 -35.9 72.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.96 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 542' ' ' ASN . . . . . 0.522 ' HA ' HD12 ' A' ' 545' ' ' LEU . 18.4 m120 -69.27 -31.85 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.305 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.28 -43.52 97.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.624 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.602 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.5 t -61.32 -39.23 89.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 542' ' ' ASN . 48.0 mt -61.1 -29.67 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.679 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.7 OUTLIER -70.95 -34.27 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 544' ' ' SER . 27.7 mt -62.84 -37.32 86.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.49 -33.12 19.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.047 179.483 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.943 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.3 m-85 -53.52 -23.99 12.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 81.2 m-20 -48.05 -28.59 2.92 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.108 0.48 . . . . 0.0 110.061 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.16 76.41 0.31 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.899 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 4.0 Cg_endo -47.48 -28.5 8.83 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.31 -48.55 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.3 t -82.92 -42.05 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.865 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.88 -36.24 47.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.108 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.77 -42.04 58.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.88 -42.86 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.115 0.483 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.427 HD11 HD11 ' A' ' 548' ' ' LEU . 2.3 pp -71.44 -36.17 59.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.749 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -63.71 -45.89 87.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.807 0.337 . . . . 0.0 111.133 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -44.67 85.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.84 -41.28 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.836 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.7 t -61.29 -53.76 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.696 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -34.84 70.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 30.7 mt-10 -70.29 -24.37 63.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -75.95 -35.24 59.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.909 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.8 mp -86.7 -16.2 37.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.533 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 14.7 mt-30 -52.97 -47.1 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -77.66 -32.78 53.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.635 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.616 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 120.915 0.388 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.47 -45.06 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 465' ' ' LEU . 5.9 mt-10 -51.97 -44.04 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.049 0.452 . . . . 0.0 110.498 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.5 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.648 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.1 mmm -67.26 -36.27 81.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 462' ' ' GLU . 4.0 mt -64.84 -45.28 86.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.767 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -62.53 -36.06 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.38 -48.46 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -57.07 -34.93 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -82.28 -45.12 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.668 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.89 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.17 -39.77 91.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.602 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.73 -40.52 92.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.037 0.446 . . . . 0.0 110.184 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 544' ' ' SER . 0.6 OUTLIER -70.07 -50.93 36.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.812 179.078 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -26.75 68.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.632 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -71.08 -49.11 48.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.383 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.679 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -69.62 -30.57 68.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.226 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.855 HD13 HD12 ' A' ' 480' ' ' LEU . 19.2 mm -63.48 -33.64 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.031 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 66.9 m -60.84 -45.22 95.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -66.42 -26.05 67.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.855 HD12 HD13 ' A' ' 477' ' ' ILE . 9.9 mt -64.45 -41.74 96.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.26 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 483' ' ' VAL . 72.6 mm-40 -84.5 -13.93 50.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.701 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -36.89 -55.5 0.9 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.0 t 44.82 95.75 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.903 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.46 134.54 27.27 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.0 -0.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 85.1 Cg_endo -82.76 167.62 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.38 2.053 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.599 ' O ' HG13 ' A' ' 490' ' ' VAL . 29.3 mtt180 -112.11 78.11 2.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.434 ' O ' HG22 ' A' ' 558' ' ' ILE . 84.5 Cg_exo -46.29 -27.26 4.59 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.475 2.117 . . . . 0.0 112.721 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 488' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -88.4 -21.87 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.578 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.487 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 2.4 t-160 -88.14 -37.79 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.749 ' O ' HD23 ' A' ' 494' ' ' LEU . 5.9 m -64.27 -39.26 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.866 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.805 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.54 -27.3 69.16 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' A' ' 496' ' ' LYS . 20.1 t-20 -65.26 -59.56 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.432 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -51.72 -29.67 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.943 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.9 mm? -62.3 -49.55 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 6.8 ptmt -60.46 -29.24 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.701 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -79.96 -44.52 20.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.031 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.55 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -62.73 -35.31 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.521 179.065 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 494' ' ' LEU . 77.3 t -67.05 -47.85 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.398 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -26.06 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.611 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.87 -40.26 72.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.09 -42.78 99.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.1 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -57.41 -35.73 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.456 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.97 -38.44 88.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.16 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -73.76 -39.13 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.335 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.598 ' HA ' HD13 ' A' ' 537' ' ' ILE . 14.6 ttm180 -59.9 -54.35 47.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.244 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -61.26 -27.81 68.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.83 79.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.195 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.0 m -60.19 -48.2 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.097 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 1.0 OUTLIER -56.96 -52.13 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.496 179.29 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.24 -43.24 92.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.043 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.567 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.2 OUTLIER -57.17 -45.24 83.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.866 0.365 . . . . 0.0 110.76 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.553 ' CD1' HG11 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -56.87 -46.41 81.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.056 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -45.42 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 514' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 518' ' ' VAL . 0.3 OUTLIER -57.91 -52.0 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.06 HG11 HD11 ' A' ' 526' ' ' ILE . 10.3 p -62.97 -24.21 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.206 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 12.4 ttm105 -76.36 -23.25 54.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.181 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 10.9 mtp -87.27 -21.4 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.407 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 519' ' ' ASP . 14.2 m -114.14 -44.67 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 111.504 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.42 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.2 m-20 -122.65 77.64 47.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.45 -55.29 2.22 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.92 -50.85 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.635 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -39.08 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.65 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.521 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -56.46 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.274 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.17 60.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -40.09 51.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.107 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.06 HD11 HG11 ' A' ' 515' ' ' VAL . 38.7 pt -71.92 -17.73 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.587 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.497 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 3.8 mtp180 -40.66 -45.68 2.42 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 57.8 m -73.14 -32.55 64.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.59 ' O ' HG22 ' A' ' 532' ' ' THR . 1.0 OUTLIER -78.68 -50.19 11.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.432 -179.732 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.553 HG11 ' CD1' ' A' ' 512' ' ' PHE . 39.3 t -61.02 -31.18 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.2 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 10.6 mmt -68.46 -52.27 34.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 536' ' ' VAL . 11.9 t -61.21 -32.85 72.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.987 0.422 . . . . 0.0 110.217 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.555 ' O ' HD12 ' A' ' 537' ' ' ILE . 2.3 t60 -58.56 -39.47 80.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.312 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.54 HD21 ' HG2' ' A' ' 505' ' ' ARG . 1.0 OUTLIER -67.73 -48.57 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.189 179.356 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.46 -36.77 81.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 532' ' ' THR . 45.8 t -58.59 -39.74 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.364 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.598 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.4 OUTLIER -54.76 -54.46 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.379 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 538' ' ' TYR . . . . . 0.44 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.07 -43.28 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.096 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -58.99 -54.7 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.506 ' CG ' HG13 ' A' ' 536' ' ' VAL . 14.0 mmm180 -54.73 -37.5 65.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.688 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.651 ' HE1' HG22 ' A' ' 498' ' ' VAL . 7.7 ttm -56.08 -35.06 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -71.37 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.1 -41.44 74.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.911 ' HA ' HD12 ' A' ' 547' ' ' LEU . 5.5 m -60.41 -37.59 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.77 -53.86 50.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 m -50.36 -34.8 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.42 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.911 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.3 mt -62.51 -41.85 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.646 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.928 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -83.64 -31.74 26.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.928 ' N ' HD13 ' A' ' 548' ' ' LEU . 5.1 m-85 -55.95 -22.75 28.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.205 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -47.53 -29.46 2.82 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.105 0.479 . . . . 0.0 109.913 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.0 t -104.72 77.68 0.33 Allowed Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.914 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.32 -28.29 5.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.778 2.319 . . . . 0.0 112.467 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.87 -54.13 12.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 551' ' ' VAL . 84.4 t -75.07 -43.21 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.875 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.55 -36.43 45.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.735 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.2 -50.13 20.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.505 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -71.52 -39.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.85 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.488 ' N ' HD12 ' A' ' 558' ' ' ILE . 8.9 mm-40 -60.71 -41.96 96.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 111.309 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.47 -50.99 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.74 -33.75 62.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.561 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.95 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.6 t -63.18 -53.92 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.153 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.98 -34.87 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.9 0.381 . . . . 0.0 110.565 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.474 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.0 mm-40 -73.33 -24.61 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.376 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -80.0 -31.5 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.495 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.421 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.75 -17.01 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 22.6 mt-30 -49.88 -41.02 44.69 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.085 0.469 . . . . 0.0 110.569 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -32.4 50.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.897 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' VAL . . . . . 0.494 HG11 ' CE1' ' A' ' 507' ' ' HIS . 73.4 t -57.72 -42.34 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.13 -44.61 61.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.079 0.466 . . . . 0.0 110.674 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.17 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.771 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 30.1 mtp -64.98 -41.85 95.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.752 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.94 -32.24 73.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.28 -40.94 74.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -53.32 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -87.5 -37.95 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.806 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -48.83 58.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.61 -36.71 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.402 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.25 86.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.832 HD23 ' CD2' ' A' ' 497' ' ' TYR . 0.5 OUTLIER -75.39 -45.54 38.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.928 179.148 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -28.13 68.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -71.03 -44.78 65.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.62 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.37 -37.82 83.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.97 0.414 . . . . 0.0 110.131 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.566 HD13 HD12 ' A' ' 480' ' ' LEU . 16.5 mm -57.32 -34.25 45.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.371 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.2 m -58.44 -46.67 86.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.982 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.522 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -63.76 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.31 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.2 mt -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.201 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 483' ' ' VAL . 86.4 mm-40 -85.28 -13.14 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.42 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.54 -55.45 0.68 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.929 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 481' ' ' GLN . 47.7 t 47.04 96.59 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.58 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 59.3 Cg_endo -71.96 134.97 35.77 Favored 'Cis proline' 0 C--N 1.348 0.541 0 C-N-CA 123.425 -1.49 . . . . 0.0 112.296 0.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -82.09 152.81 16.5 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.591 2.194 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.69 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.0 OUTLIER -102.57 81.18 0.36 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.808 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.442 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.2 Cg_endo -48.29 -25.96 7.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.764 2.31 . . . . 0.0 112.305 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 488' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 489' ' ' HIS . 0.1 OUTLIER -86.54 -24.45 25.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.167 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.466 ' O ' ' CE ' ' A' ' 493' ' ' MET . 2.2 t-160 -87.5 -36.09 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.97 -36.84 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.858 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.674 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -62.18 -22.93 66.3 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 20.9 t30 -73.51 -53.96 9.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -55.75 -30.75 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.627 179.647 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.7 mm? -63.4 -50.18 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.412 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.681 ' HB2' HD11 ' A' ' 565' ' ' LEU . 10.0 ptmt -59.27 -30.62 68.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -73.67 -44.54 56.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.344 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.832 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -66.52 -33.47 75.76 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 494' ' ' LEU . 85.2 t -66.01 -50.8 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.411 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -28.03 30.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.645 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.51 77.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.4 ' HG3' ' HA ' ' A' ' 498' ' ' VAL . 1.0 OUTLIER -61.55 -45.55 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.588 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -54.56 -45.29 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.749 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -32.0 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.619 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.19 -44.28 76.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.716 ' HA ' HD13 ' A' ' 537' ' ' ILE . 45.6 ttt180 -56.78 -48.77 77.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.668 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.43 -29.15 68.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.563 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' HIS . . . . . 0.494 ' CE1' HG11 ' A' ' 461' ' ' VAL . 0.1 OUTLIER -69.92 -40.86 75.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 508' ' ' THR . . . . . 1.008 HG22 HG13 ' A' ' 530' ' ' VAL . 2.3 m -58.1 -38.16 75.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.492 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -57.8 -52.94 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.554 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -35.02 75.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -28.57 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.344 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.742 ' HB2' HG11 ' A' ' 530' ' ' VAL . 0.1 OUTLIER -84.65 -40.97 16.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 0.0 110.142 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -43.81 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.104 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.524 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.617 HG21 ' HD2' ' A' ' 522' ' ' LYS . 12.7 p -63.52 -22.97 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 516' ' ' ARG . . . . . 0.428 ' HA ' ' CB ' ' A' ' 523' ' ' ALA . 48.5 ttt180 -72.75 -24.07 60.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 5.1 mtp -87.73 -24.45 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.83 -41.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.675 0.274 . . . . 0.0 111.57 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.39 71.79 80.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.79 -23.07 74.37 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.193 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -64.47 -56.56 13.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.283 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.617 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -82.08 -29.28 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.467 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.55 -37.14 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.9 -32.32 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -75.87 -28.84 58.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.602 HD11 HG11 ' A' ' 515' ' ' VAL . 38.0 pt -84.59 -9.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.677 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.77 -44.96 6.99 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 66.5 m -72.85 -30.74 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.782 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -73.36 -45.63 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.391 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 1.008 HG13 HG22 ' A' ' 508' ' ' THR . 96.5 t -63.52 -33.98 64.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 0.0 110.136 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.429 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.0 mmt -61.15 -47.83 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.593 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 529' ' ' GLN . 11.9 t -64.57 -24.09 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.238 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.93 ' HB3' HG21 ' A' ' 508' ' ' THR . 1.0 OUTLIER -62.81 -38.62 91.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -64.94 -57.72 8.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.172 0.51 . . . . 0.0 109.816 179.013 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 532' ' ' THR . 10.2 ptm180 -61.07 -29.17 69.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.136 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -66.2 -38.2 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.051 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -55.93 -52.59 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.971 179.195 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.31 -46.44 41.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.81 -46.52 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.678 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -57.61 -40.26 78.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.661 ' HE1' HG13 ' A' ' 498' ' ' VAL . 14.7 ttm -53.21 -35.55 60.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.422 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -33.23 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -63.85 -36.73 84.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.583 ' OG ' HD21 ' A' ' 473' ' ' LEU . 10.2 t -65.65 -41.32 92.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.702 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.406 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 27.7 mt -61.89 -28.35 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 24.7 p -71.62 -39.97 70.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.075 0.465 . . . . 0.0 110.528 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 544' ' ' SER . 21.9 mt -63.21 -35.77 81.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.467 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.927 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -86.94 -31.74 20.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.774 179.34 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.904 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.3 m-85 -55.99 -22.83 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.09 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -47.2 -29.49 2.38 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.105 0.479 . . . . 0.0 109.91 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.8 t -104.58 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.792 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.35 -27.62 5.05 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.836 2.358 . . . . 0.0 112.506 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.9 -54.01 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 551' ' ' VAL . 92.5 t -75.0 -43.68 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.767 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.849 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.4 -37.85 50.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.763 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.97 -50.23 30.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.443 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.52 -44.74 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.541 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -70.37 -36.11 65.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.735 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -61.68 -43.98 97.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.817 0.342 . . . . 0.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.69 -48.38 81.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' GLU . . . . . 0.403 ' OE1' ' CD2' ' A' ' 491' ' ' PHE . 16.9 pt-20 -76.77 -38.07 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.515 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.8 t -62.43 -56.15 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.88 0.371 . . . . 0.0 110.651 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.37 -34.31 66.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.615 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.528 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 57.7 mt-10 -71.15 -23.73 62.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.323 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 495' ' ' LYS . 0.2 OUTLIER -79.29 -32.35 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.54 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.718 ' CD2' HG11 ' A' ' 498' ' ' VAL . 1.3 mt -86.54 -16.39 37.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.528 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 25.9 mt-30 -53.77 -46.33 70.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.951 0.405 . . . . 0.0 110.655 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -60.01 -51.73 68.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' GLU . . . . . 0.403 ' OE2' HD12 ' A' ' 565' ' ' LEU . 1.4 pt-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.942 0.401 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 73.9 t -55.46 -42.43 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.577 ' HA ' HD12 ' A' ' 465' ' ' LEU . 8.2 mt-10 -52.49 -44.61 65.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 110.552 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.91 71.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.77 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.6 mmm -68.29 -39.08 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 462' ' ' GLU . 11.7 mt -62.49 -33.78 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -74.7 -34.97 62.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -55.59 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 7.1 ptm180 -58.37 -27.14 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -85.64 -40.19 16.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -54.9 22.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' LEU . . . . . . . . . . . . . 1.8 pp -61.36 -35.83 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.274 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -63.45 -42.18 98.64 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.042 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.855 HD23 ' CD1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -69.25 -46.62 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.907 179.165 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -27.45 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.5 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 475' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -70.9 -48.56 53.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.247 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -65.72 -30.46 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.578 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 16.6 mm -64.99 -34.32 69.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.5 m -62.86 -46.8 86.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.919 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -61.46 -29.72 70.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.1 mt -59.01 -46.52 88.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.377 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.809 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.7 mp0 -85.93 -10.88 54.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.48 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -28.39 -51.6 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 481' ' ' GLN . 52.7 t 43.27 97.49 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.886 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 8.1 Cg_exo -72.41 134.54 34.62 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.753 -1.353 . . . . 0.0 112.052 -0.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -80.76 153.89 20.05 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.256 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.76 ' O ' HG13 ' A' ' 490' ' ' VAL . 15.6 mtt180 -112.72 79.67 3.38 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.494 ' HA ' HG22 ' A' ' 490' ' ' VAL . 86.0 Cg_exo -45.87 -25.44 2.67 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.819 2.346 . . . . 0.0 112.985 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -27.18 22.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.72 0.295 . . . . 0.0 111.309 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.412 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.6 t-80 -86.53 -36.88 18.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.0 m -63.6 -39.22 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.627 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.515 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -57.37 -28.89 63.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.887 0.375 . . . . 0.0 110.168 179.476 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -69.45 -45.25 69.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.441 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -58.14 -36.37 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.482 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.5 mm? -58.64 -46.2 87.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 109.971 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.683 ' CD ' HD13 ' A' ' 565' ' ' LEU . 13.1 mtpt -49.48 -46.05 47.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.913 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -48.84 79.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.855 ' CD1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.91 -31.57 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 109.983 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 494' ' ' LEU . 86.8 t -73.02 -46.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.617 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -24.53 61.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.48 -41.85 60.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.407 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 1.8 mt-10 -60.08 -50.08 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -53.26 -40.71 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.459 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 504' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.752 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.644 ' HD3' HG21 ' A' ' 537' ' ' ILE . 22.4 mtm105 -58.42 -50.73 72.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 110.085 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -56.42 -26.75 54.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.602 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -32.98 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.379 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.521 ' CG2' HG13 ' A' ' 530' ' ' VAL . 91.0 m -63.53 -53.4 52.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.7 mp -57.7 -38.6 75.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.642 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.61 -44.76 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.688 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.759 ' O ' HG12 ' A' ' 515' ' ' VAL . 3.7 m-70 -59.19 -44.75 92.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.783 ' HD1' HG21 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -51.42 -46.5 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -78.17 -44.89 24.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.318 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' HIS . . . . . 0.517 ' HA ' ' HE3' ' A' ' 517' ' ' MET . 2.3 t-80 -60.7 -53.67 54.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.862 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 0.77 HG11 ' CD1' ' A' ' 526' ' ' ILE . 9.2 p -61.52 -29.01 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -68.37 -23.59 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' MET . . . . . 0.517 ' HE3' ' HA ' ' A' ' 514' ' ' HIS . 1.0 OUTLIER -87.02 -48.45 8.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 110.452 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 519' ' ' ASP . 18.9 m -77.05 -46.02 29.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.392 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.9 t0 -129.15 79.36 74.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -46.93 29.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.607 2.205 . . . . 0.0 112.377 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -59.69 -53.3 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' LYS . . . . . 0.414 ' HA ' ' HG3' ' A' ' 525' ' ' GLN . 0.0 OUTLIER -58.96 -39.31 81.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 515' ' ' VAL . . . -54.79 -32.95 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.53 -31.16 53.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 525' ' ' GLN . . . . . 0.414 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 5.4 mt-30 -75.81 -23.88 55.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.77 ' CD1' HG11 ' A' ' 515' ' ' VAL . 38.9 pt -88.39 -6.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.748 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.451 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -40.88 -45.61 2.56 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.841 0.353 . . . . 0.0 111.449 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -32.27 40.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.776 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -70.12 -46.3 65.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.783 HG21 ' HD1' ' A' ' 512' ' ' PHE . 63.7 t -62.87 -35.18 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.273 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.588 ' HA ' HD12 ' A' ' 534' ' ' LEU . 11.2 mmt -63.26 -49.73 72.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.48 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.776 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.6 t -60.37 -25.31 65.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.051 0.453 . . . . 0.0 110.197 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.576 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -59.53 -49.24 78.53 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.3 179.496 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.5 OUTLIER -60.4 -44.32 95.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.105 0.479 . . . . 0.0 110.178 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -40.63 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 532' ' ' THR . 17.6 t -55.84 -39.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.715 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.644 HG21 ' HD3' ' A' ' 505' ' ' ARG . 0.9 OUTLIER -56.52 -56.47 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.83 -36.71 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.375 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.37 -53.96 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -57.74 -32.98 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.431 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.408 ' HA ' ' HH ' ' A' ' 497' ' ' TYR . 28.0 ttm -58.77 -35.35 72.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.169 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 542' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 545' ' ' LEU . 25.4 m-20 -71.32 -30.33 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.86 -35.33 80.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.743 ' HA ' HD12 ' A' ' 547' ' ' LEU . 32.8 t -68.1 -42.02 80.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 542' ' ' ASN . 16.7 mt -59.04 -31.74 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.59 -37.94 62.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.125 0.488 . . . . 0.0 110.363 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 544' ' ' SER . 17.5 mt -63.23 -35.69 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.322 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.92 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.56 -32.25 19.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.036 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.916 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.2 m-85 -55.77 -22.96 26.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.165 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.41 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 89.6 m-20 -47.49 -29.0 2.44 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.095 0.474 . . . . 0.0 110.172 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.4 t -105.55 75.85 0.32 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.854 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 3.7 Cg_endo -46.96 -28.29 6.94 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 553' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 556' ' ' GLU . . . -69.38 -48.06 62.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 551' ' ' VAL . 88.4 t -83.36 -42.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.077 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.868 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.46 -36.38 43.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 17.6 pt-20 -74.4 -47.96 30.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.6 -46.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.46 . . . . 0.0 110.546 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.445 HG21 HG21 ' A' ' 490' ' ' VAL . 2.3 pp -67.34 -36.57 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.612 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.39 -37.93 79.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 111.138 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -54.72 30.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.81 -31.96 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.409 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.515 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.7 t -65.23 -57.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.361 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -51.21 -33.58 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.0 110.193 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 13.4 mt-10 -67.18 -27.23 67.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.092 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.683 HD13 ' CD ' ' A' ' 495' ' ' LYS . 0.5 OUTLIER -73.92 -36.55 64.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.587 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 566' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.3 mp -82.18 -15.51 52.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 5.0 mm-40 -52.4 -46.71 66.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.149 0.499 . . . . 0.0 110.476 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.81 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.984 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.784 0.326 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 77.1 t -54.28 -41.0 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.38 -45.05 62.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.007 0.432 . . . . 0.0 110.284 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.82 73.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.558 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 17.0 mtp -71.93 -50.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.02 -34.43 63.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.445 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 470' ' ' ARG . 0.7 OUTLIER -59.22 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.267 179.396 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 467' ' ' ASP . . . . . 0.424 ' O ' HD23 ' A' ' 471' ' ' LEU . 3.2 t0 -53.95 -31.76 51.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -63.5 -35.79 81.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' A' ' 497' ' ' TYR . 30.4 ttm180 -80.21 -44.1 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.26 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 466' ' ' ASN . 4.0 mtt-85 -61.27 -53.67 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.362 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 472' ' ' ALA . 0.6 OUTLIER -60.48 -39.29 87.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.428 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -70.04 -35.82 74.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.39 . . . . 0.0 110.451 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.4 OUTLIER -74.89 -47.91 27.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.864 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.42 -26.78 68.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.555 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' ASN . . . . . 0.417 ' OD1' HD12 ' A' ' 471' ' ' LEU . 1.4 m120 -70.15 -47.07 63.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 476' ' ' TYR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -69.07 -37.5 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.001 0.429 . . . . 0.0 109.934 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.623 HD13 HD12 ' A' ' 480' ' ' LEU . 20.0 mm -59.07 -33.51 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.305 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 87.4 m -61.4 -46.31 90.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.772 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -62.59 -29.27 70.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.216 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 480' ' ' LEU . . . . . 0.623 HD12 HD13 ' A' ' 477' ' ' ILE . 9.2 mt -61.08 -50.9 71.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.363 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 481' ' ' GLN . . . . . 0.817 ' O ' HG23 ' A' ' 483' ' ' VAL . 9.0 mp0 -87.15 -11.36 50.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 482' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -29.47 -51.38 0.11 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 483' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.0 t 46.99 95.36 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.47 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 484' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 59.7 Cg_endo -72.13 134.28 33.01 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.44 -1.483 . . . . 0.0 112.188 -0.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 485' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 89.3 Cg_endo -83.19 157.03 14.94 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.354 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.907 ' O ' HG13 ' A' ' 490' ' ' VAL . 6.3 mmt180 -114.65 79.88 5.94 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 487' ' ' PRO . . . . . 0.623 ' O ' HG22 ' A' ' 558' ' ' ILE . 72.7 Cg_exo -49.04 -26.19 10.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.561 2.174 . . . . 0.0 112.645 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -22.53 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 489' ' ' HIS . . . . . 0.41 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.1 t-160 -87.75 -36.08 17.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.907 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.6 m -63.93 -42.89 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.302 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 491' ' ' PHE . . . . . 0.723 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.42 -29.05 33.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.042 0.448 . . . . 0.0 110.224 179.339 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.442 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 52.1 t30 -68.3 -52.63 31.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.365 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 493' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -54.33 -30.17 50.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.682 179.605 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 494' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.2 mm? -61.43 -52.63 63.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' LYS . . . . . 0.539 ' CB ' HD11 ' A' ' 565' ' ' LEU . 12.3 ptmt -57.81 -26.77 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.103 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 496' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 499' ' ' ARG . 0.0 OUTLIER -76.18 -43.53 42.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 109.898 179.203 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 497' ' ' TYR . . . . . 0.673 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -68.92 -31.08 69.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.08 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 494' ' ' LEU . 58.3 t -71.32 -53.08 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 499' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -54.71 -26.74 35.79 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.438 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.442 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' ' HE2' ' A' ' 541' ' ' MET . 0.9 OUTLIER -59.08 -49.41 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.42 179.505 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -54.73 -37.34 65.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -63.04 -35.45 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -68.94 -40.32 79.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.599 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.3 ttm-85 -57.62 -44.8 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.96 -27.93 67.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.616 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -31.91 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.456 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.721 HG21 ' HB3' ' A' ' 533' ' ' HIS . 88.3 m -69.76 -36.45 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 509' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -63.87 -40.5 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.208 179.595 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -57.09 -46.21 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.73 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.829 ' O ' HG12 ' A' ' 515' ' ' VAL . 61.9 m80 -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.66 -51.58 47.76 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.221 0.534 . . . . 0.0 110.544 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.32 -34.52 48.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.183 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -58.17 6.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.688 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 515' ' ' VAL . . . . . 1.064 HG11 HD11 ' A' ' 526' ' ' ILE . 12.3 p -61.17 -26.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.44 -23.06 58.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 60.7 mtm -88.03 -20.0 26.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.578 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 519' ' ' ASP . 15.5 m -114.78 -45.49 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.185 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 519' ' ' ASP . . . . . 0.448 ' N ' HG23 ' A' ' 518' ' ' VAL . 0.4 OUTLIER -121.41 77.41 35.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.05 -53.25 5.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 112.234 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -60.07 -53.04 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -39.02 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.786 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 523' ' ' ALA . . . . . 0.521 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -53.93 -32.13 52.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 524' ' ' ALA . . . . . 0.426 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -76.55 -32.49 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -73.99 -24.83 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.037 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 1.064 HD11 HG11 ' A' ' 515' ' ' VAL . 34.0 pt -91.25 -18.24 7.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.679 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 527' ' ' ARG . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 3.5 mtp-105 -41.1 -53.61 3.02 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.722 0.296 . . . . 0.0 111.662 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -57.34 -36.73 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 529' ' ' GLN . . . . . 0.635 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -75.97 -43.52 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.309 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 530' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 526' ' ' ILE . 21.7 t -60.28 -32.52 51.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.357 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 531' ' ' MET . . . . . 0.595 ' HA ' HD12 ' A' ' 534' ' ' LEU . 33.5 mmt -66.03 -56.72 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 532' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.0 t -55.34 -26.99 44.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.199 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 533' ' ' HIS . . . . . 0.721 ' HB3' HG21 ' A' ' 508' ' ' THR . 1.7 t-80 -58.51 -50.44 73.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.399 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 534' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.18 -41.63 97.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.159 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -60.95 -42.71 98.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.181 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 532' ' ' THR . 48.1 t -55.25 -38.38 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.726 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 537' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.17 -54.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.504 179.533 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.8 -42.21 50.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.77 -50.24 74.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 540' ' ' ARG . . . . . 0.515 ' CG ' HG13 ' A' ' 536' ' ' VAL . 20.1 mmm180 -58.38 -34.83 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' MET . . . . . 0.41 ' HE2' ' HG3' ' A' ' 501' ' ' GLU . 25.0 ttm -57.15 -35.83 70.0 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.141 0.496 . . . . 0.0 110.158 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -70.01 -31.85 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.502 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 547' ' ' LEU . 9.6 t -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.409 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 19.3 mt -63.91 -28.05 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 4.7 m -77.02 -36.25 56.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.138 0.494 . . . . 0.0 110.102 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.5 mt -61.54 -35.04 76.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.429 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.928 ' O ' HD22 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.68 -31.14 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.857 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 549' ' ' TYR . . . . . 0.923 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.6 m-85 -54.41 -24.12 18.61 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 50.3 m-80 -47.3 -28.94 2.19 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.42 76.71 0.28 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.723 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 4.0 Cg_endo -47.27 -29.29 9.23 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.722 2.281 . . . . 0.0 112.532 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -50.4 46.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 99.2 t -79.77 -44.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.646 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' ALA . . . . . 0.827 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.04 -33.88 19.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.454 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.93 -50.83 25.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.86 -46.28 90.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 487' ' ' PRO . 2.5 pp -68.34 -36.39 74.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.601 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -59.13 -39.61 82.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.775 0.321 . . . . 0.0 111.124 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -54.9 32.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.87 -29.35 64.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 558' ' ' ILE . 16.0 t -71.25 -47.69 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.47 -29.62 69.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.608 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mm-40 -79.88 -24.07 41.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 565' ' ' LEU . . . . . 0.723 HD22 ' CE1' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -82.08 -36.22 27.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.728 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.9 mt -86.79 -23.35 25.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.8 OUTLIER -66.53 -59.37 3.7 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.8 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.3 65.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.969 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 465' ' ' LEU . 11.0 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.955 0.407 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -66.52 -32.51 73.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.59 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.66 -41.7 87.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.663 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 462' ' ' GLU . 1.5 mt -66.15 -34.31 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.675 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -65.03 -36.96 86.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.807 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -61.06 -53.13 61.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.404 ' HA ' HD21 ' A' ' 471' ' ' LEU . 15.5 mtp180 -55.0 -34.36 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 67.2 ttp85 -81.18 -38.68 26.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -62.62 1.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.558 . . . . 0.0 110.137 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.651 HD12 HD22 ' A' ' 475' ' ' ASN . 2.2 pp -53.35 -37.1 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.834 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -63.93 -38.72 92.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.062 0.458 . . . . 0.0 110.255 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.494 HD23 ' CE2' ' A' ' 497' ' ' TYR . 1.1 tm? -72.44 -50.53 25.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.643 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -27.42 68.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.483 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.651 HD22 HD12 ' A' ' 471' ' ' LEU . 8.6 m-20 -69.97 -48.88 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.621 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.49 -34.43 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.691 HD13 HD12 ' A' ' 480' ' ' LEU . 17.7 mm -60.51 -33.95 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.348 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -59.03 -46.36 88.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.956 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.699 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.4 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.18 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.4 mt -60.16 -42.99 96.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.349 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.705 ' O ' HG23 ' A' ' 483' ' ' VAL . 77.2 mm-40 -83.85 -13.3 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.512 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -36.11 -52.78 0.78 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.1 t 51.56 94.73 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.31 133.63 32.23 Favored 'Cis proline' 0 C--N 1.348 0.51 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.235 -0.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -78.95 150.39 23.43 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.354 2.036 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.828 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.3 OUTLIER -99.1 86.49 0.53 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.529 ' HA ' HG22 ' A' ' 490' ' ' VAL . 9.8 Cg_endo -51.96 -22.0 13.4 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.411 2.074 . . . . 0.0 112.256 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -27.83 23.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.277 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.429 ' O ' ' CE ' ' A' ' 493' ' ' MET . 13.7 t-160 -86.37 -36.56 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.828 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.8 m -65.58 -35.95 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.709 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.829 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -66.58 -25.92 66.86 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.124 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.414 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 6.8 t30 -66.06 -59.44 3.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.429 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.11 -31.04 17.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.606 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.823 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.7 mm? -61.02 -51.43 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.464 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 6.4 ptmt -59.26 -28.3 66.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.713 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.464 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 1.8 mmmt -77.75 -47.72 18.34 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.494 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -61.24 -36.96 81.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.833 179.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 494' ' ' LEU . 93.3 t -63.86 -51.02 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.637 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -25.79 41.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.639 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.14 35.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.857 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 498' ' ' VAL . 1.2 pt-20 -60.27 -28.37 68.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 7.5 mt-30 -65.89 -48.24 72.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.456 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.66 -33.24 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.493 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.11 -46.5 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.694 ' HA ' HD13 ' A' ' 537' ' ' ILE . 6.1 ttm180 -57.53 -50.02 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -62.8 -29.99 71.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.481 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.29 -32.96 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.432 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.435 HG21 ' HG ' ' A' ' 534' ' ' LEU . 33.5 m -64.1 -44.2 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 509' ' ' LEU . 9.1 mp -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.631 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -60.71 -36.97 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -35.41 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.534 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -57.09 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -32.79 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.373 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . 0.453 ' O ' HG22 ' A' ' 518' ' ' VAL . 47.4 t-80 -61.77 -55.64 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.672 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 526' ' ' ILE . 8.6 p -63.06 -28.86 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . 0.404 ' HA ' ' CB ' ' A' ' 523' ' ' ALA . 10.5 ttt180 -69.46 -23.29 63.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.044 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . 0.428 ' HG2' HG13 ' A' ' 518' ' ' VAL . 0.4 OUTLIER -88.64 -47.59 8.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 110.546 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 519' ' ' ASP . 23.4 m -79.4 -46.77 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.8 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 6.4 m-20 -127.29 74.29 77.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.1 -32.7 83.49 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.681 2.254 . . . . 0.0 112.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -56.97 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.067 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.59 -27.4 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.77 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -51.04 -41.76 60.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.738 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.71 -30.21 64.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.928 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -78.61 -33.16 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.005 HD11 HG11 ' A' ' 515' ' ' VAL . 1.4 pt -83.64 -12.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.69 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.534 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 8.2 mtp85 -42.61 -48.59 5.46 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 0.0 111.342 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.1 m -58.88 -32.66 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.813 ' O ' HG22 ' A' ' 532' ' ' THR . 0.8 OUTLIER -75.13 -47.48 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.293 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.628 ' CG2' HD12 ' A' ' 526' ' ' ILE . 60.3 t -61.24 -32.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.231 0.539 . . . . 0.0 109.969 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.668 ' HA ' HD12 ' A' ' 534' ' ' LEU . 0.4 OUTLIER -62.77 -53.98 46.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.476 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.3 t -55.34 -26.93 43.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.41 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.487 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -59.83 -49.59 77.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.124 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.58 -46.08 91.38 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.095 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -61.62 -40.12 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.062 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 532' ' ' THR . 24.6 t -57.83 -36.42 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.694 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.5 OUTLIER -57.94 -54.68 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . 0.415 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -76.69 -40.21 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.25 -49.73 76.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.476 ' CG ' HG13 ' A' ' 536' ' ' VAL . 18.7 mmt85 -58.6 -36.05 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.324 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.716 ' HE2' HG22 ' A' ' 498' ' ' VAL . 4.0 ttm -56.47 -35.0 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.299 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -70.49 -32.88 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.498 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -66.45 -41.96 88.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 m -60.43 -39.14 86.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 79.4 mt -61.48 -35.37 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.419 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 t -65.74 -36.97 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.4 mt -62.0 -44.97 95.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.528 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.934 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -79.93 -32.05 40.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.897 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.921 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.4 m-85 -54.28 -24.17 17.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.062 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -47.24 -29.12 2.21 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-O 121.07 0.462 . . . . 0.0 110.044 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.9 t -104.67 78.05 0.35 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.866 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -45.97 -29.82 6.5 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.762 2.308 . . . . 0.0 112.422 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 556' ' ' GLU . . . -69.99 -54.06 14.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.495 ' H ' HG12 ' A' ' 551' ' ' VAL . 78.2 t -75.06 -41.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.835 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.93 -34.61 56.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.998 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 553' ' ' ALA . 0.0 OUTLIER -80.56 -33.09 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.36 -42.99 58.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.478 . . . . 0.0 110.313 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -72.06 -36.85 58.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.502 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.429 ' N ' HD12 ' A' ' 558' ' ' ILE . 8.4 mm-40 -61.52 -41.55 97.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -48.51 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.12 -34.12 56.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.602 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.908 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.6 t -63.54 -54.54 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.946 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.3 t0 -59.43 -35.3 73.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.517 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.9 mt-10 -72.79 -25.01 61.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.329 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -78.85 -31.78 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.568 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.68 -16.72 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.517 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.6 mt-30 -52.53 -44.92 66.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.975 0.417 . . . . 0.0 110.604 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -60.7 -30.27 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.918 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 465' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.09 0.471 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.44 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 13.1 mmm -66.17 -42.96 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 507' ' ' HIS . 12.7 mt -60.83 -34.5 74.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -74.86 -38.22 62.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -62.11 -52.88 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.0 ptm85 -56.73 -34.2 67.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -79.83 -42.45 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -61.18 2.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 0.0 110.275 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.686 HD12 HD22 ' A' ' 475' ' ' ASN . 1.4 pp -53.58 -36.96 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.953 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -66.22 -39.27 89.49 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.01 0.433 . . . . 0.0 110.344 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 473' ' ' LEU . 1.1 tm? -74.64 -44.77 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.37 -24.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.503 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.686 HD22 HD12 ' A' ' 471' ' ' LEU . 6.2 m-20 -71.74 -47.56 52.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.533 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.11 -38.12 87.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 109.971 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 480' ' ' LEU . 17.3 mm -57.52 -33.66 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.347 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.0 m -60.37 -46.32 90.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.991 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.776 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -63.25 -30.54 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.271 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.6 mt -59.05 -42.54 90.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.292 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.649 ' O ' HG23 ' A' ' 483' ' ' VAL . 76.3 mm-40 -90.89 -13.33 33.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.511 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -34.16 -56.88 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.9 t 50.41 96.58 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.452 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.23 134.39 30.2 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.659 -1.392 . . . . 0.0 112.076 -0.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 98.4 Cg_endo -85.4 148.52 10.15 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.516 2.144 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.918 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.6 mmm180 -102.47 82.27 0.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.43 ' O ' HG22 ' A' ' 558' ' ' ILE . 8.8 Cg_endo -50.36 -23.48 10.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.618 2.212 . . . . 0.0 112.308 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -26.83 22.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -86.06 -36.73 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.7 m -63.23 -39.75 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.465 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.725 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -62.88 -24.69 67.94 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.349 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 49.4 t30 -66.98 -57.99 5.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -50.65 -30.93 14.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 0.0 110.772 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.823 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.6 mm? -62.05 -51.53 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.705 ' CB ' HD11 ' A' ' 565' ' ' LEU . 7.9 ptmt -58.76 -29.46 66.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.043 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -77.88 -42.67 32.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.102 179.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.42 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.27 -34.1 76.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.231 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 494' ' ' LEU . 95.3 t -65.62 -50.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -27.14 46.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.3 79.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.518 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.02 -45.87 90.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.309 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.703 HE21 HG12 ' A' ' 498' ' ' VAL . 51.8 mt-30 -53.41 -37.36 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.7 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -68.1 -32.58 72.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.28 -42.32 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.609 ' HG2' HD23 ' A' ' 534' ' ' LEU . 0.0 OUTLIER -60.24 -42.82 96.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.15 -29.0 70.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.443 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . 0.424 ' CD2' HD11 ' A' ' 465' ' ' LEU . 10.0 m80 -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.497 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.471 HG23 HG13 ' A' ' 530' ' ' VAL . 52.9 m -66.44 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.495 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -69.27 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.347 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.69 -39.37 91.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.836 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.3 OUTLIER -61.34 -49.35 77.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.716 ' HD1' HG21 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -52.5 -42.78 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.027 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.85 -44.03 51.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.07 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -61.57 -54.96 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.923 HG11 ' CD1' ' A' ' 526' ' ' ILE . 13.2 p -62.08 -22.52 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -78.04 -23.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 22.0 mtm -88.11 -19.73 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.291 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 519' ' ' ASP . 16.7 m -113.58 -45.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 518' ' ' VAL . 29.4 m-20 -121.78 78.89 39.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.38 -52.03 6.34 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.578 2.186 . . . . 0.0 112.314 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -58.7 -52.22 66.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.788 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -38.35 82.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.22 -31.27 61.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.026 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.56 59.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 526' ' ' ILE . 0.0 OUTLIER -73.66 -38.55 64.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.186 179.535 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.923 ' CD1' HG11 ' A' ' 515' ' ' VAL . 48.4 pt -74.7 -10.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.779 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -44.77 2.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 111.704 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 14.3 m -78.01 -30.83 50.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 532' ' ' THR . 1.3 tt0 -74.62 -46.71 36.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.454 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.716 HG21 ' HD1' ' A' ' 512' ' ' PHE . 47.3 t -65.59 -34.21 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.037 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.638 ' HA ' HD12 ' A' ' 534' ' ' LEU . 10.1 mmt -66.93 -51.25 57.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.488 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 536' ' ' VAL . 14.7 t -58.7 -26.94 64.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.906 0.384 . . . . 0.0 110.139 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.496 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -58.84 -50.71 72.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -60.2 -45.95 91.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.06 0.457 . . . . 0.0 110.339 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 531' ' ' MET . 9.1 mtp85 -61.14 -39.91 91.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.086 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 532' ' ' THR . 40.6 t -56.12 -40.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.52 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.7 OUTLIER -55.94 -54.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -76.1 -40.84 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.294 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.73 -54.29 47.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.638 ' HG3' HG13 ' A' ' 536' ' ' VAL . 36.9 mtp180 -56.02 -35.88 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.57 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.692 ' HE2' HG22 ' A' ' 498' ' ' VAL . 22.0 ttm -56.47 -35.69 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.204 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -69.21 -32.63 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.388 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -62.78 -38.45 90.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.56 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 547' ' ' LEU . 7.2 m -63.54 -43.08 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 46.2 mt -56.72 -33.84 66.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -68.42 -36.55 79.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.96 0.41 . . . . 0.0 110.645 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.9 mt -62.1 -40.36 95.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -84.97 -31.31 23.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.866 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.914 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.5 m-85 -55.19 -23.53 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.144 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -47.73 -28.89 2.69 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.112 0.482 . . . . 0.0 110.009 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.3 t -105.13 77.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.872 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.83 -29.41 5.72 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.868 2.378 . . . . 0.0 112.526 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.18 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.455 ' H ' HG12 ' A' ' 551' ' ' VAL . 84.2 t -74.85 -42.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.846 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.41 -35.79 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.547 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -73.15 -51.01 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.44 -46.53 88.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.6 pp -68.67 -37.47 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.557 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.466 ' N ' HD12 ' A' ' 558' ' ' ILE . 7.6 mm-40 -60.22 -35.3 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -66.28 -52.06 51.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.73 -30.85 61.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.599 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.4 t -64.09 -57.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.2 -34.35 66.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.489 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 38.2 mt-10 -71.91 -23.72 61.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 491' ' ' PHE . 0.1 OUTLIER -80.1 -32.48 39.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.464 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.451 ' HG ' ' HG ' ' A' ' 565' ' ' LEU . 2.2 mt -86.57 -15.81 38.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.489 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 21.0 mt-30 -51.64 -44.68 63.06 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.508 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.32 -32.26 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.85 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.879 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.014 0.435 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.12 71.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.617 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.2 mtp -64.76 -48.09 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.679 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.89 -33.26 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.478 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -52.13 58.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.657 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -55.41 -42.04 73.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.807 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 16.8 mtt-85 -59.42 -29.89 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -83.06 -42.17 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -61.73 -60.49 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.199 0.523 . . . . 0.0 109.875 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.723 HD12 HD22 ' A' ' 475' ' ' ASN . 1.3 pp -56.28 -36.3 68.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.613 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -67.35 -42.14 84.01 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -69.55 -47.14 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 179.27 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.14 -27.58 69.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.329 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.723 HD22 HD12 ' A' ' 471' ' ' LEU . 6.6 m-20 -69.81 -48.97 57.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -64.68 -35.62 81.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.853 0.358 . . . . 0.0 110.25 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.601 HD13 HD12 ' A' ' 480' ' ' LEU . 15.9 mm -60.21 -33.56 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.8 m -58.28 -47.01 84.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.069 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.596 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -63.08 -32.79 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.202 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.7 mt -58.73 -42.46 88.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.794 ' O ' HG23 ' A' ' 483' ' ' VAL . 82.2 mm-40 -87.86 -11.98 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.245 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -29.85 -53.47 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 481' ' ' GLN . 52.2 t 46.17 96.37 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.627 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.18 135.19 38.73 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.446 -1.481 . . . . 0.0 112.222 -0.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.9 153.18 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.502 2.135 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.783 ' O ' HG13 ' A' ' 490' ' ' VAL . 17.3 mtt85 -112.68 80.56 3.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.437 ' HA ' HG22 ' A' ' 490' ' ' VAL . 88.5 Cg_exo -46.35 -25.6 3.35 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.703 2.269 . . . . 0.0 112.801 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -25.79 23.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.407 ' O ' ' CE ' ' A' ' 493' ' ' MET . 6.5 t-160 -87.3 -35.5 18.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.8 m -64.2 -40.52 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.735 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -53.47 -29.61 36.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.003 0.43 . . . . 0.0 110.163 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 1.2 t30 -70.89 -46.38 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.488 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -57.73 -35.22 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.8 mm? -60.72 -45.76 93.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.64 ' CD ' HD13 ' A' ' 565' ' ' LEU . 9.0 mtpt -48.7 -44.73 38.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.888 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -51.36 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.681 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -65.19 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 109.959 179.744 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 494' ' ' LEU . 69.3 t -70.79 -48.14 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -24.02 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.52 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -72.04 -42.1 66.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.46 -47.18 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.97 -41.26 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -64.22 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.346 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.76 -42.13 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.507 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.619 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -58.34 -43.1 88.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.434 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -69.99 -28.5 65.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -72.23 -35.49 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.225 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.53 HG23 HG13 ' A' ' 530' ' ' VAL . 96.8 m -63.0 -38.08 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.226 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -59.18 -51.89 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.764 179.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -52.64 -38.48 60.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.667 ' O ' HG12 ' A' ' 515' ' ' VAL . 4.6 m80 -62.31 -38.38 89.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -61.86 -55.28 31.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.99 -37.65 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.337 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . 0.409 ' O ' HG22 ' A' ' 518' ' ' VAL . 26.4 t60 -62.87 -56.01 21.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.052 HG11 HD11 ' A' ' 526' ' ' ILE . 7.6 p -60.56 -22.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -74.71 -26.33 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 74.0 mtm -89.63 -15.29 33.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 519' ' ' ASP . 17.9 m -116.16 -47.1 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.698 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.468 ' N ' HG23 ' A' ' 518' ' ' VAL . 6.7 t0 -127.88 73.66 78.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.28 -34.22 93.93 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.613 2.209 . . . . 0.0 112.203 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -62.73 -55.82 23.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -71.29 -28.66 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 526' ' ' ILE . . . -54.36 -36.06 63.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.76 -29.35 63.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.682 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -75.58 -33.91 60.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.052 HD11 HG11 ' A' ' 515' ' ' VAL . 35.5 pt -79.1 -14.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.709 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.519 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -40.92 -47.85 3.04 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 33.4 m -74.71 -34.33 62.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.878 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -72.16 -49.23 37.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.679 -179.625 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.53 HG13 HG23 ' A' ' 508' ' ' THR . 41.2 t -60.84 -31.69 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.681 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.4 mmt -62.45 -44.5 96.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 529' ' ' GLN . 7.6 t -65.51 -26.43 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.626 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.869 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -63.98 -40.17 95.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.394 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.88 -52.12 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.364 179.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 15.9 ptt180 -64.81 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -64.43 -35.38 74.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.869 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -59.29 -54.13 38.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.136 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . 0.407 ' N ' HG22 ' A' ' 537' ' ' ILE . 1.4 t80 -72.62 -43.64 63.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.31 -52.77 63.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.941 0.401 . . . . 0.0 110.636 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -32.51 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.339 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.414 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 21.5 ttm -58.67 -35.29 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.329 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -70.24 -31.78 69.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.314 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -63.96 -34.4 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.696 ' HA ' HD12 ' A' ' 547' ' ' LEU . 4.1 t -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 44.7 mt -58.17 -36.43 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 1.2 m -68.2 -37.75 81.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.97 0.414 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.8 mt -62.69 -37.64 87.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.46 -31.34 20.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.992 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.915 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.9 m-85 -56.64 -22.52 34.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.179 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -47.47 -29.21 2.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.7 t -104.31 78.64 0.35 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.008 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.59 -30.82 9.28 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.693 2.262 . . . . 0.0 112.393 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.67 -54.17 17.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 551' ' ' VAL . 89.7 t -74.94 -45.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.774 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -49.83 -31.47 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.26 -52.09 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.33 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.89 -46.48 90.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.958 0.408 . . . . 0.0 110.455 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.492 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -66.14 -38.33 81.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.428 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.492 ' N ' HD12 ' A' ' 558' ' ' ILE . 28.1 mm-40 -59.09 -34.89 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.67 -55.92 19.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.26 -31.88 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.492 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.922 ' HA ' HD23 ' A' ' 565' ' ' LEU . 4.4 t -65.77 -59.8 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.6 t0 -49.86 -34.84 21.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.369 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.538 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 2.0 mt-10 -71.2 -26.21 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.286 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.5 OUTLIER -76.59 -32.59 58.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.799 -179.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.3 mp -86.56 -16.57 36.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.538 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.8 mt-30 -54.64 -48.22 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.62 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.49 -29.37 61.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.946 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.653 ' HA ' HD12 ' A' ' 465' ' ' LEU . 5.3 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.962 0.411 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.683 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.2 mmm -66.58 -47.22 73.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.603 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 462' ' ' GLU . 2.5 mt -60.19 -30.73 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.603 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.28 -51.62 42.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -45.54 90.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 29.6 mtp180 -58.77 -29.28 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.81 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -84.6 -44.84 13.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -51.1 67.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.108 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.723 HD12 HD22 ' A' ' 475' ' ' ASN . 1.5 pp -63.18 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.161 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -64.16 -43.6 94.66 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.152 0.501 . . . . 0.0 109.805 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -65.95 -53.41 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.692 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -26.71 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.535 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.723 HD22 HD12 ' A' ' 471' ' ' LEU . 6.0 m-20 -70.59 -50.14 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.443 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.455 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -68.42 -30.1 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.619 HD13 HD12 ' A' ' 480' ' ' LEU . 18.1 mm -64.54 -33.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 81.8 m -63.33 -46.2 87.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.831 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.541 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -62.95 -27.63 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.739 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.9 mt -60.29 -44.7 95.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.278 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.791 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.7 mp0 -89.8 -11.86 40.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.477 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -28.53 -54.0 0.11 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.7 t 45.54 97.27 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.808 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 12.1 Cg_exo -70.61 131.78 21.36 Favored 'Cis proline' 0 C--N 1.347 0.495 0 C-N-CA 123.714 -1.369 . . . . 0.0 111.989 -0.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.449 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 3.4 Cg_exo -79.45 159.34 25.77 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.474 2.116 . . . . 0.0 112.043 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.834 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.7 mtp85 -116.54 76.65 7.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 490' ' ' VAL . 77.5 Cg_exo -48.11 -25.0 6.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.578 2.186 . . . . 0.0 112.603 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -26.26 23.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.219 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -87.28 -35.62 18.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.834 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.3 m -64.23 -39.36 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.511 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -30.23 60.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.112 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -68.55 -47.39 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.315 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.429 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.83 -39.99 72.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.721 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.1 mm? -56.27 -47.38 78.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.442 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.577 ' CD ' HD13 ' A' ' 565' ' ' LEU . 11.0 mtpt -49.04 -46.17 43.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.737 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -52.7 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.436 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.672 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -60.54 -32.62 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.167 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 494' ' ' LEU . 89.1 t -73.59 -52.07 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.65 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -23.77 55.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.91 -40.39 63.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 0.9 OUTLIER -62.53 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.507 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.45 ' NE2' HG12 ' A' ' 498' ' ' VAL . 6.9 mt-30 -55.86 -42.64 76.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.48 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -60.59 -43.26 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.496 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.69 -41.58 83.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.309 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.514 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.6 ttt180 -58.68 -44.16 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.476 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -60.85 -27.74 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -33.86 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.757 HG21 ' HB2' ' A' ' 534' ' ' LEU . 11.2 m -59.09 -53.17 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 1.1 mm? -55.23 -50.8 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 514' ' ' HIS . 8.4 mtpp -60.48 -45.15 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.595 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.3 OUTLIER -53.26 -34.55 57.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.3 OUTLIER -70.91 -56.61 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.068 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.29 -36.62 84.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.782 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 518' ' ' VAL . 0.9 OUTLIER -63.88 -58.04 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.722 0.296 . . . . 0.0 110.795 -179.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.032 HG11 HD11 ' A' ' 526' ' ' ILE . 7.7 p -65.18 -23.59 33.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -77.97 -23.63 48.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 19.8 mtm -89.5 -16.0 31.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.199 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 519' ' ' ASP . 22.8 m -115.48 -46.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.32 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.4 m-20 -125.51 72.74 67.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.97 -31.99 84.35 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.624 2.216 . . . . 0.0 112.177 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.965 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.593 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.82 -27.77 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.53 -28.96 63.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.843 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.0 -32.46 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.032 HD11 HG11 ' A' ' 515' ' ' VAL . 32.1 pt -81.71 -10.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.712 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.545 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.14 -51.49 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.621 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -36.56 76.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 532' ' ' THR . 1.7 tt0 -74.28 -51.86 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.324 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 48.7 t -63.28 -31.76 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.462 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 1.2 mmt -68.37 -49.55 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 536' ' ' VAL . 1.0 OUTLIER -57.15 -32.58 66.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.69 ' O ' HD12 ' A' ' 537' ' ' ILE . 10.8 t60 -64.69 -38.95 92.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.489 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.757 ' HB2' HG21 ' A' ' 508' ' ' THR . 3.1 tm? -67.01 -48.17 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.59 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 531' ' ' MET . 27.7 mtp180 -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 532' ' ' THR . 35.5 t -59.92 -35.93 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.471 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -59.16 -55.34 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.316 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . 0.418 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.89 -39.05 57.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.255 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.16 -54.2 47.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.464 ' CG ' HG13 ' A' ' 536' ' ' VAL . 0.9 OUTLIER -56.45 -36.15 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 36.3 ttm -57.57 -34.22 68.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.482 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.55 -33.98 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.922 ' HA ' HD12 ' A' ' 547' ' ' LEU . 98.3 p -67.1 -42.97 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.744 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.445 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 67.1 mt -56.65 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.025 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 4.0 m -67.71 -34.23 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.09 0.472 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.922 HD12 ' HA ' ' A' ' 544' ' ' SER . 20.5 mt -63.72 -38.6 91.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.935 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.43 -32.59 19.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.034 179.667 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.935 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.6 m-85 -56.22 -22.23 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.318 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -47.74 -28.88 2.7 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.02 0.438 . . . . 0.0 110.265 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.2 t -105.32 77.9 0.39 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.099 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -47.66 -26.83 7.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.774 2.316 . . . . 0.0 112.49 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.14 -49.3 37.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.58 -43.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.871 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.52 -39.51 57.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.728 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.405 ' HG3' ' HG2' ' A' ' 557' ' ' GLU . 13.0 pt-20 -72.42 -42.86 64.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.421 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.405 ' HG2' ' HG3' ' A' ' 556' ' ' GLU . 1.2 mm-40 -67.11 -49.02 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.247 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.467 HG21 HG21 ' A' ' 490' ' ' VAL . 2.2 pp -66.21 -35.53 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.398 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -62.29 -36.88 83.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.82 -53.43 57.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.684 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -74.54 -38.05 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.902 ' HA ' HD23 ' A' ' 565' ' ' LEU . 7.8 t -64.54 -57.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.405 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -54.7 -28.05 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.39 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 28.2 mt-10 -77.73 -23.56 49.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.053 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.902 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -78.96 -35.42 43.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.578 -179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.4 mp -86.93 -18.35 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.5 pt20 -58.96 -53.14 61.77 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.728 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.95 -26.05 21.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.566 179.782 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 465' ' ' LEU . 1.1 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.092 0.473 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.85 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 8.9 mmm -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.764 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.773 HD13 ' OD1' ' A' ' 504' ' ' ASP . 5.6 mt -65.05 -38.46 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.08 -39.15 93.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.699 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -50.32 70.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.675 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -57.76 -28.97 64.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.708 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -87.04 -39.07 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.755 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -48.41 71.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.259 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.659 HD12 HD22 ' A' ' 475' ' ' ASN . 2.0 pp -65.24 -40.54 94.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 497' ' ' TYR . . . -63.93 -38.42 91.01 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.678 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.7 OUTLIER -71.73 -53.08 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.418 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -61.32 -23.85 66.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.707 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.659 HD22 HD12 ' A' ' 471' ' ' LEU . 9.2 m-20 -73.88 -48.37 31.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.339 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.3 OUTLIER -69.79 -28.91 66.13 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.825 HD13 HD12 ' A' ' 480' ' ' LEU . 16.5 mm -65.04 -33.89 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.188 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 96.8 m -58.12 -46.82 84.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.987 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.456 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.5 -31.81 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.194 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.5 mt -59.78 -42.04 92.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.302 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.619 ' O ' HG23 ' A' ' 483' ' ' VAL . 85.2 mm-40 -83.12 -13.48 55.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -34.91 -54.53 0.58 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.1 t 45.54 96.89 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.858 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 11.4 Cg_exo -70.94 134.9 33.66 Favored 'Cis proline' 0 C--N 1.347 0.484 0 C-N-CA 123.7 -1.375 . . . . 0.0 112.07 -0.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.51 154.67 16.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.532 2.155 . . . . 0.0 112.397 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.737 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.9 mmt85 -104.26 78.67 0.35 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.8 Cg_endo -49.19 -22.87 5.92 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.796 2.33 . . . . 0.0 112.652 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -26.38 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 111.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.402 ' O ' ' CE ' ' A' ' 493' ' ' MET . 6.8 t-160 -86.5 -36.44 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.5 m -64.28 -41.88 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.368 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.441 ' CD1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.29 -26.74 19.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.178 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.0 -43.14 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.27 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.492 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -64.34 -28.32 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 476' ' ' TYR . 2.7 mm? -71.71 -45.42 61.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.856 ' HB2' HD11 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.83 -31.28 62.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -84.92 -50.29 7.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.746 0.308 . . . . 0.0 110.273 179.188 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.678 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -52.03 -44.62 64.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.163 0.506 . . . . 0.0 109.761 179.108 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.556 HG11 HD22 ' A' ' 566' ' ' LEU . 50.0 t -62.67 -42.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.378 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -27.99 57.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.12 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.571 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.98 -41.02 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.196 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -57.83 -40.14 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.444 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -65.65 -38.46 89.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.535 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . 0.773 ' OD1' HD13 ' A' ' 465' ' ' LEU . 12.0 t0 -63.56 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.44 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.614 ' HG2' HD21 ' A' ' 534' ' ' LEU . 2.3 ttp180 -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.71 -32.0 73.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.413 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . 0.635 ' HD2' HD21 ' A' ' 465' ' ' LEU . 0.1 OUTLIER -66.23 -36.66 83.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.533 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.584 HG21 ' HB2' ' A' ' 534' ' ' LEU . 96.1 m -58.33 -52.84 63.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.152 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -57.08 -52.1 66.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 110.204 179.083 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -58.34 -41.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.723 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.679 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.1 OUTLIER -53.04 -39.16 63.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.494 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -60.0 -51.03 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.764 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -75.72 -31.69 59.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.721 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -60.52 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.703 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.017 HG11 HD11 ' A' ' 526' ' ' ILE . 9.8 p -61.38 -23.67 31.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -77.3 -23.41 51.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 33.2 mtm -88.4 -17.78 29.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.348 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 519' ' ' ASP . 16.1 m -115.19 -44.46 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 111.351 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 5.1 t0 -126.76 73.38 75.33 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.85 -30.11 83.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.623 2.215 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -64.19 -57.47 9.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.021 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -76.4 -27.74 56.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.768 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -52.53 -41.23 63.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.48 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -75.38 -32.02 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.017 HD11 HG11 ' A' ' 515' ' ' VAL . 33.2 pt -81.7 -9.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.38 -49.21 3.82 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.687 0.279 . . . . 0.0 111.564 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 2.6 m -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.588 ' O ' HG22 ' A' ' 532' ' ' THR . 0.8 OUTLIER -75.84 -45.03 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.463 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 512' ' ' PHE . 35.5 t -62.07 -32.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.6 mmt -68.31 -52.21 36.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.1 t -59.55 -30.7 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.852 0.358 . . . . 0.0 110.298 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.508 ' O ' HD12 ' A' ' 537' ' ' ILE . 21.7 t60 -59.01 -43.56 91.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.234 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.614 HD21 ' HG2' ' A' ' 505' ' ' ARG . 1.7 tm? -63.76 -42.92 97.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.15 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -42.46 98.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.012 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.45 HG13 ' CG ' ' A' ' 540' ' ' ARG . 22.9 t -55.85 -37.58 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.4 OUTLIER -56.25 -54.66 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . 0.44 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -75.43 -42.08 54.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.58 -49.9 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.45 ' CG ' HG13 ' A' ' 536' ' ' VAL . 7.3 mmp_? -57.28 -38.58 74.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.526 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 18.3 ttm -55.51 -35.11 65.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.313 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -72.49 -30.59 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.607 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.3 -36.38 76.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 t -64.63 -41.19 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.578 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 52.9 mt -62.69 -34.98 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.418 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.2 m -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 544' ' ' SER . 25.0 mt -62.5 -37.9 87.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.666 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.925 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.57 -31.23 19.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.036 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.925 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.4 m-85 -56.43 -22.48 32.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.204 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -47.58 -29.19 2.7 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.3 t -105.37 77.66 0.38 Allowed Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.965 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.89 -30.62 7.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 557' ' ' GLU . . . -68.29 -54.17 19.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 551' ' ' VAL . 90.5 t -75.22 -45.55 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.871 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.06 -30.94 11.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.571 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -77.1 -52.26 9.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.593 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 1.6 mm-40 -61.43 -41.92 97.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.109 0.48 . . . . 0.0 110.609 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -70.77 -41.41 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.837 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 18.3 mm100 -63.44 -37.13 86.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.715 0.293 . . . . 0.0 111.217 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -51.92 67.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . 0.406 ' HG3' ' CG ' ' A' ' 491' ' ' PHE . 4.7 pt-20 -79.35 -35.56 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.556 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.681 ' O ' HD12 ' A' ' 566' ' ' LEU . 8.3 t -60.44 -52.87 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -39.74 91.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.535 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.4 mm-40 -68.99 -25.7 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.214 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -75.84 -35.41 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.529 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mt -84.02 -16.04 45.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.535 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 23.4 mt-30 -56.78 -48.94 76.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.703 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -60.28 -30.03 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.962 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.512 ' HA ' HD12 ' A' ' 465' ' ' LEU . 4.4 mt-10 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.968 0.413 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.86 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 41.4 mtp -67.63 -44.01 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 462' ' ' GLU . 4.6 mt -65.86 -26.61 67.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -76.41 -43.48 40.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.95 -54.74 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.402 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 5.3 ptm180 -57.81 -31.38 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.707 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 9.8 ttp-105 -80.91 -40.86 23.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -62.66 1.68 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.18 0.514 . . . . 0.0 109.991 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.66 HD12 HD22 ' A' ' 475' ' ' ASN . 1.7 pp -53.33 -34.16 56.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.773 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 497' ' ' TYR . . . -64.85 -41.31 95.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.962 0.41 . . . . 0.0 110.554 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 497' ' ' TYR . 1.1 tm? -73.05 -43.07 62.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.106 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.92 -27.18 67.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.594 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.66 HD22 HD12 ' A' ' 471' ' ' LEU . 6.9 m-80 -70.55 -46.68 63.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.534 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -65.24 -38.63 90.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.05 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.595 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -56.15 -35.41 41.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.425 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.44 85.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.665 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -65.83 -29.0 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.347 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.862 HD11 ' HB2' ' A' ' 548' ' ' LEU . 6.3 mt -62.75 -42.58 99.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.156 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 483' ' ' VAL . 66.0 mm-40 -83.18 -13.26 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.445 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -37.2 -56.05 0.95 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.775 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 481' ' ' GLN . 43.5 t 44.42 96.93 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.61 134.67 25.94 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 123.587 -1.422 . . . . 0.0 112.016 -0.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.455 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 87.4 Cg_endo -84.19 164.17 13.17 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.499 2.133 . . . . 0.0 112.422 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.722 ' O ' HG13 ' A' ' 490' ' ' VAL . 6.4 mtt85 -112.76 78.35 2.81 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.494 ' HA ' HG22 ' A' ' 490' ' ' VAL . 84.5 Cg_exo -46.82 -27.03 5.19 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.522 2.148 . . . . 0.0 112.513 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -85.54 -25.72 26.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.381 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 13.5 t-160 -87.65 -36.91 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.818 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.6 m -65.45 -34.05 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.509 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.756 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.96 -26.4 67.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 3.9 t30 -68.15 -56.51 8.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.46 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -53.64 -30.54 43.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.923 0.392 . . . . 0.0 110.484 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.818 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.7 mm? -62.15 -53.7 51.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.441 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -55.05 -27.14 42.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.967 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.441 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 3.1 mmmt -74.39 -53.05 10.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.877 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.47 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -64.49 -33.6 76.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.639 179.373 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 494' ' ' LEU . 58.9 t -67.03 -46.89 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.117 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -27.25 62.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.31 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.534 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 469' ' ' ARG . 1.2 mt-10 -62.44 -49.12 76.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.163 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.459 HE21 HG12 ' A' ' 498' ' ' VAL . 71.9 mt-30 -56.6 -40.79 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.14 -31.96 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.53 -42.03 59.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.537 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.668 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.2 ttt-85 -59.27 -53.71 55.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -27.31 69.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.385 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 510' ' ' LYS . 0.1 OUTLIER -70.17 -40.95 74.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.375 179.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.544 ' CG2' HG13 ' A' ' 530' ' ' VAL . 56.9 m -60.91 -31.7 71.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -68.22 -39.33 82.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.113 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 507' ' ' HIS . 7.0 mmmt -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.765 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.8 OUTLIER -55.12 -41.27 71.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -51.2 -54.56 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.536 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.6 -40.05 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.586 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . 0.436 ' O ' HG22 ' A' ' 518' ' ' VAL . 3.0 t60 -62.49 -54.71 35.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.715 0.293 . . . . 0.0 110.886 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 526' ' ' ILE . 8.9 p -60.74 -26.77 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.16 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 3.4 ttp180 -70.81 -26.44 63.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 111.025 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 44.4 mtm -89.78 -15.68 31.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.749 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 519' ' ' ASP . 17.7 m -117.02 -47.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 5.0 t0 -127.28 74.48 77.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.674 0.273 . . . . 0.0 111.55 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.02 -31.11 66.35 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -63.73 -57.72 9.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.017 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.664 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -73.83 -28.25 61.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -51.36 -40.72 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.431 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -71.35 -30.18 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.525 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -41.82 56.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.414 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.054 HD11 HG11 ' A' ' 515' ' ' VAL . 42.1 pt -71.83 -18.8 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.711 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 12.4 mtp85 -41.61 -51.54 3.96 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.664 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 39.6 m -60.38 -33.94 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.51 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -76.62 -40.73 48.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.238 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.544 HG13 ' CG2' ' A' ' 508' ' ' THR . 46.9 t -63.05 -33.17 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.082 0.468 . . . . 0.0 110.321 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.626 ' HA ' HD12 ' A' ' 534' ' ' LEU . 3.7 mmt -67.92 -54.83 15.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.488 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 536' ' ' VAL . 14.8 t -57.85 -25.57 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.174 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.6 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -60.54 -48.63 80.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.99 -44.67 96.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.338 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -61.79 -42.28 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.189 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 532' ' ' THR . 41.3 t -55.69 -37.3 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -57.73 -55.28 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -37.38 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.34 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.3 -59.16 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.658 ' HG3' HG13 ' A' ' 536' ' ' VAL . 52.3 mtt180 -54.05 -35.3 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.53 ' HE1' HG13 ' A' ' 498' ' ' VAL . 32.1 ttm -57.41 -34.97 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -71.27 -30.61 66.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.548 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -67.37 -42.01 84.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 547' ' ' LEU . 5.0 p -61.79 -39.54 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.461 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 57.9 mt -63.33 -31.54 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 13.1 m -67.36 -35.24 78.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.9 mt -63.64 -39.36 94.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.607 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.915 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.77 -31.74 22.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.818 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.915 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.3 m-85 -54.95 -24.0 21.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -48.01 -28.55 2.85 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-O 121.114 0.483 . . . . 0.0 110.057 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.4 t -105.6 76.8 0.36 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.945 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -46.86 -27.73 6.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 556' ' ' GLU . . . -69.84 -48.49 58.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.117 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.449 ' H ' HG12 ' A' ' 551' ' ' VAL . 79.0 t -82.98 -41.78 17.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.058 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.847 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.48 -36.04 54.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.03 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 17.0 pt-20 -74.48 -46.04 42.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.549 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -42.7 96.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -72.65 -39.01 60.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.815 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.483 ' N ' HD12 ' A' ' 558' ' ' ILE . 36.9 mm-40 -62.18 -41.43 98.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.723 0.297 . . . . 0.0 111.186 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.99 -47.91 84.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.89 -33.79 45.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.695 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.79 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.5 t -63.28 -55.94 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.817 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 1.9 t70 -59.31 -36.01 74.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.51 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.542 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.5 mm-40 -69.4 -24.92 63.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -75.47 -32.08 60.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.881 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mt -86.54 -19.22 29.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.542 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 5.9 mt-30 -59.4 -43.14 93.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -29.27 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.086 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.932 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.982 0.42 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.55 -31.35 72.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 28.6 mtp -65.78 -47.89 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.05 -39.71 79.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 470' ' ' ARG . 9.3 m-20 -64.61 -51.43 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.633 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -47.33 -45.7 24.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.981 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -32.28 71.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -81.02 -41.95 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.983 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 466' ' ' ASN . 23.8 mmm180 -60.66 -60.83 3.18 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 109.858 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.711 HD12 HD22 ' A' ' 475' ' ' ASN . 1.0 OUTLIER -53.15 -37.6 61.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.559 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 497' ' ' TYR . . . -68.52 -42.83 77.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.134 0.492 . . . . 0.0 109.749 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.88 HD21 ' HB2' ' A' ' 544' ' ' SER . 0.3 OUTLIER -65.13 -50.2 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -26.67 68.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.315 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.711 HD22 HD12 ' A' ' 471' ' ' LEU . 7.2 m-20 -70.32 -49.71 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.261 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.473 ' OH ' ' HB3' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -70.32 -28.13 64.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.922 0.392 . . . . 0.0 110.232 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.602 HD13 HD12 ' A' ' 480' ' ' LEU . 19.0 mm -67.93 -33.08 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.207 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -61.7 -47.24 86.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.851 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -61.06 -30.15 70.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.244 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 548' ' ' LEU . 9.5 mt -59.11 -47.21 86.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.312 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.798 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.3 mp0 -88.03 -11.26 47.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -27.9 -51.74 0.07 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 481' ' ' GLN . 72.5 t 46.69 97.43 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 69.4 Cg_endo -74.18 134.78 37.19 Favored 'Cis proline' 0 C--N 1.349 0.581 0 C-N-CA 123.393 -1.503 . . . . 0.0 112.155 -0.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 84.4 Cg_endo -82.38 139.81 10.53 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.401 2.067 . . . . 0.0 112.311 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.916 ' O ' HG13 ' A' ' 490' ' ' VAL . 7.5 mtt180 -101.47 83.71 0.47 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.498 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.0 Cg_endo -47.87 -25.68 6.38 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.878 2.386 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -27.81 24.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.332 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 486' ' ' ARG . 0.0 OUTLIER -87.65 -36.39 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.1 m -62.58 -36.03 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.205 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.631 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -58.22 -32.26 68.15 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 121.004 0.431 . . . . 0.0 109.983 179.176 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -66.49 -45.44 79.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.421 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -56.16 -35.88 67.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.476 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.4 mm? -58.69 -49.95 75.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.065 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.518 ' CG ' HD13 ' A' ' 565' ' ' LEU . 17.3 mtpt -47.07 -43.39 20.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -54.86 33.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.191 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.721 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -59.65 -34.84 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.012 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.948 HG11 HD21 ' A' ' 566' ' ' LEU . 77.2 t -69.77 -51.27 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.405 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -26.29 28.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.87 69.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.55 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.56 ' HG3' ' HE2' ' A' ' 541' ' ' MET . 1.2 mt-10 -62.48 -44.1 97.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.133 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.4 -37.76 65.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.484 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -66.92 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.307 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . 0.581 ' OD1' HD11 ' A' ' 537' ' ' ILE . 12.9 t70 -63.8 -41.73 97.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.421 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.481 ' HA ' HD13 ' A' ' 537' ' ' ILE . 6.4 ttt180 -60.43 -40.54 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.259 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.96 -31.31 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.301 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -70.36 -31.37 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.33 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.64 HG21 ' HG ' ' A' ' 534' ' ' LEU . 3.7 m -60.49 -48.98 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.5 mp -58.2 -43.68 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.64 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -60.57 -38.7 85.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.629 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.838 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.1 OUTLIER -60.3 -36.24 77.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.791 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -57.62 -54.57 45.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.504 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.209 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.651 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.057 HG11 HD11 ' A' ' 526' ' ' ILE . 12.7 p -60.57 -24.34 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.78 -23.31 58.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.5 mtp -87.34 -22.29 25.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.457 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.24 -41.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.51 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 2.2 t0 -128.9 73.69 81.37 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.05 -31.77 83.76 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.69 2.26 . . . . 0.0 112.392 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -63.62 -56.69 13.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.605 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.58 -27.4 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -53.14 -40.06 63.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.33 61.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.686 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -74.4 -30.29 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.678 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.057 HD11 HG11 ' A' ' 515' ' ' VAL . 23.1 pt -82.41 -7.58 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.502 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -42.71 -45.45 4.74 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.849 0.357 . . . . 0.0 111.363 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 1.9 m -71.26 -29.71 65.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.723 ' O ' HG22 ' A' ' 532' ' ' THR . 0.6 OUTLIER -73.83 -44.87 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.17 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.791 HG11 ' CD2' ' A' ' 512' ' ' PHE . 10.0 t -58.16 -32.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.665 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.0 mmt -66.23 -56.21 12.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.416 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.9 t -55.1 -28.95 56.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.492 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 530' ' ' VAL . 4.8 m-70 -58.75 -47.78 83.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.184 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -62.58 -43.9 97.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 109.77 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -59.08 -41.86 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.659 HG13 ' HG3' ' A' ' 540' ' ' ARG . 22.9 t -53.45 -40.97 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.581 HD11 ' OD1' ' A' ' 504' ' ' ASP . 0.7 OUTLIER -55.68 -54.08 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.555 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -73.97 -41.89 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -55.76 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.41 . . . . 0.0 110.714 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.659 ' HG3' HG13 ' A' ' 536' ' ' VAL . 37.0 mtt180 -56.45 -30.37 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.56 ' HE2' ' HG3' ' A' ' 501' ' ' GLU . 31.2 ttm -58.51 -37.3 75.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.162 0.506 . . . . 0.0 109.688 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.55 -36.88 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.967 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.85 80.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.88 ' HB2' HD21 ' A' ' 473' ' ' LEU . 8.3 p -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.204 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 59.1 mt -56.57 -32.59 65.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.555 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.8 OUTLIER -68.14 -38.72 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.466 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 544' ' ' SER . 24.6 mt -62.1 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.483 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -81.61 -31.61 32.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.589 179.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.891 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.0 m-85 -54.66 -23.82 18.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.124 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.38 -28.92 2.28 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.053 0.454 . . . . 0.0 110.099 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.46 77.8 0.33 Allowed Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.757 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.86 -31.94 8.66 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.829 2.352 . . . . 0.0 112.637 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.08 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.324 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 557' ' ' GLU . 86.5 t -77.01 -42.55 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.088 0.47 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.875 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.77 -33.63 24.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.698 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -78.61 -51.71 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.509 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 554' ' ' VAL . 16.5 pt-20 -61.39 -42.5 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.074 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 554' ' ' VAL . 2.4 pp -72.62 -35.76 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.709 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.47 -41.88 97.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -50.41 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.669 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.8 -40.22 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.791 ' HA ' HD23 ' A' ' 565' ' ' LEU . 5.7 t -63.55 -53.42 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.722 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.73 -28.06 60.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.597 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.579 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 52.2 mm-40 -76.84 -23.99 52.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -77.74 -38.49 46.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.592 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.948 HD21 HG11 ' A' ' 498' ' ' VAL . 1.5 mt -86.93 -23.17 25.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.579 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.0 OUTLIER -64.73 -58.34 6.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -52.64 -38.28 60.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 566' ' ' LEU . 10.3 pt-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 121.081 0.467 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.678 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.82 -42.49 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 30.7 mt -56.54 -38.89 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . 0.404 ' O ' ' HG2' ' A' ' 470' ' ' ARG . 2.3 m-80 -62.77 -55.57 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.637 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -43.64 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.963 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -59.08 -32.56 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -81.28 -41.58 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 466' ' ' ASN . 16.0 mmm180 -60.96 -59.9 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.217 0.532 . . . . 0.0 109.894 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.656 HD12 HD22 ' A' ' 475' ' ' ASN . 1.5 pp -55.92 -38.82 70.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.72 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.88 -40.98 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.189 0.519 . . . . 0.0 109.943 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.716 HD21 ' HB3' ' A' ' 544' ' ' SER . 0.2 OUTLIER -68.36 -53.47 23.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.874 178.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.53 -24.63 65.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.464 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.656 HD22 HD12 ' A' ' 471' ' ' LEU . 7.2 m-20 -70.77 -49.8 42.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.712 ' HE2' HD22 ' A' ' 473' ' ' LEU . 0.6 OUTLIER -70.61 -29.93 66.45 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.051 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.756 HD13 HD12 ' A' ' 480' ' ' LEU . 20.7 mm -60.23 -33.89 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.875 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -66.76 -46.97 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.683 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.585 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -63.53 -26.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.087 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.756 HD12 HD13 ' A' ' 477' ' ' ILE . 13.6 mt -61.49 -49.14 77.97 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.216 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.813 ' O ' HG23 ' A' ' 483' ' ' VAL . 5.6 mp0 -84.0 -11.64 56.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -30.84 -50.66 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.8 t 46.04 95.23 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.662 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 73.5 Cg_endo -76.09 133.17 30.1 Favored 'Cis proline' 0 C--N 1.349 0.564 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.202 -0.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.449 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 73.5 Cg_endo -74.46 158.41 44.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.318 2.012 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.769 ' O ' HG13 ' A' ' 490' ' ' VAL . 11.0 mmt180 -113.01 80.68 4.16 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.032 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.516 ' HA ' HG22 ' A' ' 490' ' ' VAL . 71.3 Cg_exo -48.2 -24.1 5.4 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.598 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.22 -26.49 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.098 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.422 ' O ' ' CE ' ' A' ' 493' ' ' MET . 16.9 t-160 -87.22 -36.13 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.819 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.5 m -65.4 -37.01 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.521 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.737 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -61.98 -26.71 68.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.281 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 43.9 t30 -68.76 -56.22 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.594 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.431 ' HG2' ' HB3' ' A' ' 475' ' ' ASN . 0.0 OUTLIER -55.18 -27.7 47.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.618 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 490' ' ' VAL . 4.0 mm? -64.76 -51.75 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.421 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 6.5 ptmt -56.71 -27.41 59.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.421 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.1 OUTLIER -74.25 -49.74 21.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.967 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.652 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -60.35 -42.62 96.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 179.632 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 566' ' ' LEU . 60.0 t -60.11 -43.57 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.335 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.4 62.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -76.95 -51.28 11.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 498' ' ' VAL . 0.2 OUTLIER -57.89 -29.08 64.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.854 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 17.6 mt-30 -74.35 -37.55 63.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -64.78 -33.21 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.437 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . 0.4 ' HB3' ' CG1' ' A' ' 537' ' ' ILE . 0.5 OUTLIER -65.99 -50.45 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.503 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.54 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.4 OUTLIER -58.65 -45.72 88.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.334 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -64.51 -28.98 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.5 -34.61 65.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.305 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 530' ' ' VAL . 88.6 m -60.58 -44.71 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.37 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -51.7 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -51.92 -39.22 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.887 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.562 ' O ' HG12 ' A' ' 515' ' ' VAL . 2.8 m-70 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 516' ' ' ARG . 0.3 OUTLIER -54.12 -48.07 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.146 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.39 -36.54 66.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.49 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -59.7 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.562 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.092 HG11 HD11 ' A' ' 526' ' ' ILE . 8.3 p -61.19 -24.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 5.8 tpt180 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.687 0.279 . . . . 0.0 111.081 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 56.2 mtm -82.56 -22.85 34.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.173 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -43.96 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.643 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 515' ' ' VAL . 0.3 OUTLIER -122.27 79.69 44.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.397 -179.447 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.47 -55.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.438 2.092 . . . . 0.0 112.002 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -57.59 -48.71 78.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.586 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.417 ' CE ' ' CG2' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -58.83 -40.32 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.316 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.469 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -52.76 -33.83 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.78 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.38 -33.16 61.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.764 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -76.49 -31.44 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.092 HD11 HG11 ' A' ' 515' ' ' VAL . 11.3 pt -92.87 -15.82 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.223 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 19.8 m -50.65 -28.09 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.026 0.441 . . . . 0.0 110.247 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.603 ' O ' HG22 ' A' ' 532' ' ' THR . 1.1 tt0 -82.97 -37.54 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.661 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.525 HG13 HG23 ' A' ' 508' ' ' THR . 49.0 t -69.04 -32.61 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.08 179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.632 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.7 mmt -65.41 -48.98 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.517 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.2 t -63.33 -25.27 68.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.306 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.835 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.3 OUTLIER -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.197 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -67.21 -53.18 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.537 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 16.5 ptt180 -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 532' ' ' THR . 2.4 t -65.51 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -58.85 -49.09 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.352 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.19 -33.06 50.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.83 -54.77 25.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.103 0.477 . . . . 0.0 110.404 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.408 ' HG3' HG13 ' A' ' 536' ' ' VAL . 0.6 OUTLIER -58.01 -32.88 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.204 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 4.6 ttm -58.1 -36.25 72.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.83 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.42 -37.09 85.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.806 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -40.95 88.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.074 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.716 ' HB3' HD21 ' A' ' 473' ' ' LEU . 6.1 m -64.14 -43.42 95.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.589 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.89 -42.79 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -36.57 67.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 544' ' ' SER . 28.0 mt -58.75 -53.92 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.993 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.913 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -76.63 -28.96 56.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.431 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.913 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.6 m-85 -60.28 -19.77 56.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.407 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 87.3 m-20 -47.67 -29.15 2.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.141 0.496 . . . . 0.0 110.155 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 76.76 0.34 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.736 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 2.1 Cg_endo -45.93 -30.4 7.01 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.0 112.523 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.16 -54.06 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.68 -45.43 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.826 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.16 -33.52 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.67 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.69 -51.51 11.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.366 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.03 -42.59 94.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.729 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.601 HG21 HG21 ' A' ' 490' ' ' VAL . 2.6 pp -71.72 -40.26 69.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.76 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.514 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.7 mm-40 -62.12 -44.36 96.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -48.21 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.064 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.17 -39.17 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.474 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.937 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.8 t -60.03 -50.68 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.4 t70 -58.58 -40.52 83.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.476 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 5.0 mm-40 -66.9 -24.55 66.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.442 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.37 -31.49 58.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 111.57 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mp -84.17 -18.58 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 11.1 mm-40 -58.73 -52.24 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.645 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -91.23 -24.56 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.506 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 465' ' ' LEU . 6.8 mt-10 . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 121.016 0.436 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.853 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -37.83 88.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.689 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 462' ' ' GLU . 1.2 mt -63.28 -43.59 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -62.58 -38.93 92.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.403 ' O ' HD23 ' A' ' 471' ' ' LEU . 47.3 m-20 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.675 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 9.6 mtt85 -58.77 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -82.49 -40.47 21.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -62.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.606 HD12 HD22 ' A' ' 475' ' ' ASN . 1.5 pp -57.32 -36.97 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.537 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -66.84 -37.38 84.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 110.046 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.458 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.2 tm? -72.9 -47.73 43.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.91 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.82 -28.09 69.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.363 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.606 HD22 HD12 ' A' ' 471' ' ' LEU . 12.2 m-20 -70.15 -48.04 59.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.521 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -64.37 -37.44 87.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.166 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.514 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -57.64 -34.76 48.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.278 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 75.2 m -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.902 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.139 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.1 mt -59.18 -41.99 89.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.234 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.792 ' O ' HG23 ' A' ' 483' ' ' VAL . 60.9 mm-40 -80.47 -13.27 59.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -31.89 -51.58 0.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 481' ' ' GLN . 40.8 t 42.97 96.53 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.007 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 74.4 Cg_endo -75.25 134.25 35.04 Favored 'Cis proline' 0 C--N 1.349 0.578 0 C-N-CA 123.425 -1.489 . . . . 0.0 112.231 -0.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 73.3 Cg_endo -75.71 158.11 39.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.343 2.029 . . . . 0.0 112.425 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.551 ' O ' HG13 ' A' ' 490' ' ' VAL . 4.9 mmt85 -111.12 80.07 2.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 490' ' ' VAL . 79.8 Cg_exo -44.32 -26.97 1.8 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.694 2.263 . . . . 0.0 112.93 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -25.98 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.518 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.416 ' CD2' ' HE1' ' A' ' 493' ' ' MET . 21.5 t-160 -86.82 -38.06 17.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 486' ' ' ARG . 5.6 m -63.94 -35.82 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.44 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -54.22 -35.01 61.96 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.968 0.414 . . . . 0.0 110.0 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.448 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 36.0 t30 -67.19 -45.52 76.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.983 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.497 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -60.25 -47.63 85.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.089 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 498' ' ' VAL . 2.6 mm? -59.29 -48.81 80.24 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.727 ' HG3' HD13 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.06 -35.45 59.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.621 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 497' ' ' TYR . 0.0 OUTLIER -72.27 -47.11 52.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.11 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.477 ' N ' ' HG2' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -61.58 -42.34 98.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.693 179.235 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.898 HG11 HD21 ' A' ' 566' ' ' LEU . 85.2 t -59.09 -49.45 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.621 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.0 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 497' ' ' TYR . . . -74.23 -49.22 24.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.775 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 498' ' ' VAL . 0.8 OUTLIER -58.57 -28.95 66.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.476 HE21 HG12 ' A' ' 498' ' ' VAL . 47.0 mt-30 -69.45 -41.22 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.272 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -60.43 -27.78 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.598 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.08 -44.72 45.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.547 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -57.63 -51.06 71.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.541 179.699 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.77 -27.49 68.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.465 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . 0.435 ' CD2' HD21 ' A' ' 465' ' ' LEU . 0.3 OUTLIER -70.04 -32.77 71.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 179.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.403 HG22 ' CG1' ' A' ' 530' ' ' VAL . 51.4 m -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.527 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.9 mp -56.38 -37.2 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -45.43 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.725 ' O ' HG12 ' A' ' 515' ' ' VAL . 6.8 m80 -64.92 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.681 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -54.27 -49.89 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.77 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -81.69 -37.2 27.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.985 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . 0.541 ' O ' HG22 ' A' ' 518' ' ' VAL . 1.5 t60 -64.23 -56.66 13.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.729 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.074 HG11 HD11 ' A' ' 526' ' ' ILE . 4.8 p -62.12 -30.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -24.16 64.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.5 OUTLIER -89.03 -48.51 7.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.067 0.461 . . . . 0.0 110.661 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 514' ' ' HIS . 22.3 m -76.2 -46.85 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.524 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 518' ' ' VAL . 2.7 t0 -129.62 76.52 78.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.205 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.12 -33.29 91.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.611 2.207 . . . . 0.0 112.332 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -62.91 -55.89 22.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.589 ' HD2' HD13 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -72.09 -30.36 65.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.485 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -53.57 -37.26 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.414 ' HA ' ' HD2' ' A' ' 527' ' ' ARG . . . -73.62 -29.83 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.101 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -80.57 -28.85 37.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.238 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.074 HD11 HG11 ' A' ' 515' ' ' VAL . 28.4 pt -87.87 -19.45 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.706 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.681 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.0 -51.87 3.21 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.784 0.326 . . . . 0.0 111.721 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -35.64 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.632 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.774 ' O ' HG22 ' A' ' 532' ' ' THR . 1.0 OUTLIER -73.89 -41.8 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.015 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 526' ' ' ILE . 29.1 t -61.59 -32.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.17 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.597 ' HA ' HD12 ' A' ' 534' ' ' LEU . 1.3 mmt -62.34 -54.55 38.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.6 t -55.96 -26.27 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.395 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.92 -49.1 79.0 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.474 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -63.02 -40.08 96.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 531' ' ' MET . 7.6 mmt85 -62.08 -45.65 92.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.222 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 540' ' ' ARG . 28.8 t -55.03 -34.3 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.651 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -59.59 -54.73 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 179.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . 0.472 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -77.47 -37.56 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.66 -54.58 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.448 ' CG ' HG13 ' A' ' 536' ' ' VAL . 3.3 mmm180 -54.62 -39.44 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.407 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.618 ' HE1' HG13 ' A' ' 498' ' ' VAL . 4.2 ttm -54.67 -35.05 63.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.211 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.55 -34.08 76.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.41 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -66.96 -44.81 79.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.519 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.858 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.4 m -59.92 -35.84 75.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.706 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 545' ' ' LEU . 44.8 mt -60.8 -53.93 51.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 21.5 p -49.85 -35.53 23.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.858 HD12 ' HA ' ' A' ' 544' ' ' SER . 24.5 mt -61.99 -41.43 98.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -84.94 -30.99 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.923 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.6 m-85 -57.08 -22.28 38.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.242 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . 0.404 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 79.9 m-20 -47.66 -29.27 2.87 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.223 0.535 . . . . 0.0 110.027 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.5 t -105.37 77.02 0.35 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.79 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.6 Cg_endo -45.47 -31.02 6.36 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.867 2.378 . . . . 0.0 112.469 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.88 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.016 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.429 ' H ' HG12 ' A' ' 551' ' ' VAL . 93.6 t -74.45 -43.58 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.885 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.0 -31.55 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.87 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.12 -49.62 12.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 111.512 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.83 -49.65 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.151 0.501 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.55 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -63.36 -38.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.629 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -62.72 -38.08 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 111.203 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.22 -50.46 73.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.996 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.88 -38.08 28.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.713 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 565' ' ' LEU . 8.2 t -62.95 -55.2 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.746 0.308 . . . . 0.0 110.754 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 10.1 t0 -59.06 -36.43 75.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.203 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.554 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.97 -24.86 64.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.105 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -73.6 -36.62 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.13 -179.126 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.898 HD21 HG11 ' A' ' 498' ' ' VAL . 1.8 mp -86.73 -16.22 37.07 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.554 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 13.4 mt-30 -54.93 -47.66 74.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -45.63 89.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.899 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.601 ' HA ' HD12 ' A' ' 465' ' ' LEU . 10.4 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.052 0.453 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.83 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -39.62 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.829 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 462' ' ' GLU . 8.6 mt -64.16 -37.63 88.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -63.28 -37.64 88.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -43.81 98.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.583 ' HA ' HD23 ' A' ' 471' ' ' LEU . 0.6 OUTLIER -59.29 -40.76 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.8 ttp-105 -79.06 -36.33 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -46.74 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.532 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.629 HD12 ' ND2' ' A' ' 475' ' ' ASN . 0.8 OUTLIER -61.9 -36.91 82.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.38 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -64.7 -48.85 73.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.508 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.561 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -67.07 -41.42 86.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.935 179.327 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.19 -26.99 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.321 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.629 ' ND2' HD12 ' A' ' 471' ' ' LEU . 10.1 m-20 -64.95 -51.41 61.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' A' ' 473' ' ' LEU . 1.9 p90 -63.01 -33.97 76.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.967 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.654 HD13 HD12 ' A' ' 480' ' ' LEU . 22.6 mm -54.68 -34.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.109 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.3 m -68.06 -47.22 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.744 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.456 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -61.9 -27.17 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.07 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.654 HD12 HD13 ' A' ' 477' ' ' ILE . 14.4 mt -59.82 -49.13 78.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.226 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.804 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.9 mp0 -80.37 -11.76 59.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.472 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -31.44 -50.69 0.18 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.985 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 481' ' ' GLN . 47.8 t 44.29 96.22 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.819 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 7.6 Cg_exo -72.95 134.3 34.41 Favored 'Cis proline' 0 C--N 1.348 0.549 0 C-N-CA 123.799 -1.334 . . . . 0.0 112.06 -0.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 98.9 Cg_endo -79.4 158.01 25.76 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.392 2.061 . . . . 0.0 112.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.697 ' O ' HG13 ' A' ' 490' ' ' VAL . 4.4 mtt-85 -113.45 78.47 3.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 490' ' ' VAL . 71.0 Cg_exo -48.15 -24.82 6.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.507 2.138 . . . . 0.0 112.614 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 -26.67 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.332 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 7.3 t-160 -86.36 -37.54 18.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.765 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.9 m -63.98 -36.0 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.32 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.518 ' CE2' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.26 -32.59 62.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.357 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.415 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 14.7 t30 -67.92 -54.85 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.351 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -56.18 -25.53 47.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.9 mm? -67.18 -52.62 39.09 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 0.5 OUTLIER -54.6 -27.61 40.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.807 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -70.32 -55.55 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -32.61 53.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.858 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.866 HG11 ' CD2' ' A' ' 566' ' ' LEU . 81.0 t -72.68 -46.3 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.075 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -25.96 40.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.83 -43.41 54.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.017 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 498' ' ' VAL . 1.2 pt-20 -62.49 -28.44 69.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.47 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 34.7 mt-30 -65.73 -55.17 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.299 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.53 -42.03 65.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.644 ' HA ' HD13 ' A' ' 537' ' ' ILE . 9.4 ttp-105 -60.07 -55.29 35.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.395 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -28.2 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -33.59 72.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.088 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.82 HG21 ' HB2' ' A' ' 534' ' ' LEU . 82.9 m -58.21 -52.92 63.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.0 mp -61.16 -41.31 96.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -64.26 -39.2 93.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.565 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.581 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.5 OUTLIER -57.28 -35.36 69.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 110.477 179.59 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.526 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.3 OUTLIER -61.1 -54.69 41.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.484 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -70.97 -28.97 64.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.194 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -66.71 -60.87 2.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.933 HG11 HD11 ' A' ' 526' ' ' ILE . 12.9 p -60.98 -21.32 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.98 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -77.74 -23.52 49.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.727 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 27.1 mtp -85.28 -22.37 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.85 -42.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 111.495 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 17.7 m-20 -130.24 74.35 80.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.112 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.16 -39.2 71.06 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.596 2.197 . . . . 0.0 112.257 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.609 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -73.24 -26.34 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -56.47 -37.89 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.54 62.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -76.06 -26.3 56.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.933 HD11 HG11 ' A' ' 515' ' ' VAL . 36.4 pt -86.18 -6.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.723 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.457 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.37 -47.68 3.59 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.841 0.353 . . . . 0.0 111.55 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 73.3 m -62.84 -32.73 74.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.761 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.576 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -74.58 -47.55 31.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.358 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.526 HG11 ' CD2' ' A' ' 512' ' ' PHE . 42.3 t -63.79 -32.38 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.341 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.0 mmt -69.26 -50.12 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.617 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 536' ' ' VAL . 11.6 t -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.869 0.366 . . . . 0.0 110.286 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.555 ' O ' HD12 ' A' ' 537' ' ' ILE . 12.8 t60 -58.01 -40.63 81.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.112 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.82 ' HB2' HG21 ' A' ' 508' ' ' THR . 2.5 tm? -64.52 -45.27 87.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.122 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 11.0 mtp85 -64.17 -36.26 83.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 532' ' ' THR . 42.0 t -59.44 -37.91 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.219 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.644 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.57 -53.3 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.272 179.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.46 -42.85 52.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.09 -52.19 66.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.508 ' CG ' HG13 ' A' ' 536' ' ' VAL . 4.2 mmt85 -56.85 -36.04 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.661 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.728 ' HE1' HG13 ' A' ' 498' ' ' VAL . 6.4 ttm -56.89 -35.5 69.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.005 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . 0.415 ' HA ' HD12 ' A' ' 545' ' ' LEU . 0.3 OUTLIER -68.33 -33.04 73.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.295 179.433 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.81 -41.53 95.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.581 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.0 OUTLIER -60.4 -38.16 83.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.532 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.421 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 42.8 mt -62.87 -33.03 74.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -41.43 81.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.3 mt -60.03 -41.21 91.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.003 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.913 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.64 -29.86 23.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.216 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.913 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.3 m-85 -58.55 -20.98 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.394 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.54 -29.11 2.59 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.052 0.454 . . . . 0.0 110.156 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.3 t -104.56 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.043 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.37 -30.55 8.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.82 2.347 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -54.02 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 551' ' ' VAL . 94.2 t -75.67 -45.51 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.835 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -49.62 -35.47 21.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.698 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.4 -52.02 13.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.409 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.023 0.44 . . . . 0.0 110.575 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.29 -36.42 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.726 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.48 -37.99 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -52.67 64.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.01 -36.3 64.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.366 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.959 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.4 t -64.67 -56.87 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.712 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.86 -27.68 60.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 44.8 mt-10 -79.87 -22.73 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.959 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -82.07 -35.56 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.352 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.866 ' CD2' HG11 ' A' ' 498' ' ' VAL . 1.2 mp -87.02 -17.07 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pt20 -57.11 -52.15 66.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 110.74 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.31 -48.13 83.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.95 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 465' ' ' LEU . 8.0 pt-20 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.129 0.49 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.77 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -41.21 77.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.816 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 462' ' ' GLU . 19.8 mt -60.05 -37.66 80.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.781 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.93 -39.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.25 -51.39 61.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.408 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 5.2 mtp85 -59.82 -27.96 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.53 -46.71 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.93 86.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.724 HD12 HD22 ' A' ' 475' ' ' ASN . 0.9 OUTLIER -67.44 -38.7 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.08 -37.09 80.83 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.019 0.437 . . . . 0.0 110.335 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.819 HD21 ' OG ' ' A' ' 544' ' ' SER . 0.5 OUTLIER -75.64 -46.32 32.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.801 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.98 -25.0 66.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.695 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.724 HD22 HD12 ' A' ' 471' ' ' LEU . 6.6 m-20 -72.3 -45.95 57.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.55 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.2 -39.52 86.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.622 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.52 HD13 HD12 ' A' ' 480' ' ' LEU . 19.2 mm -56.26 -34.88 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -56.69 -46.79 80.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.93 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.785 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.76 -31.16 72.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.227 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' A' ' 548' ' ' LEU . 5.9 mt -61.61 -44.21 97.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.227 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 483' ' ' VAL . 76.3 mm-40 -87.37 -13.36 43.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.447 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -35.6 -56.48 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.965 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.1 t 49.74 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.493 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 13.1 Cg_exo -69.73 134.54 29.85 Favored 'Cis proline' 0 C--N 1.349 0.554 0 C-N-CA 123.565 -1.431 . . . . 0.0 112.08 -0.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.62 151.59 10.19 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.551 2.168 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.921 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.8 mtt-85 -103.13 80.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.496 ' O ' HG22 ' A' ' 558' ' ' ILE . 7.0 Cg_endo -49.38 -23.79 7.77 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.677 2.252 . . . . 0.0 112.401 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . 0.415 ' H ' ' CD ' ' A' ' 488' ' ' ARG . 0.0 OUTLIER -86.32 -28.07 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -87.39 -35.05 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.7 m -64.12 -36.58 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.397 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.717 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.76 -23.98 66.85 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.231 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 50.8 t30 -67.71 -58.96 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.1 -30.22 15.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 110.508 179.687 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.6 mm? -61.35 -53.24 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.44 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -57.56 -27.48 62.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.892 -179.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.44 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -75.53 -50.64 15.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.849 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.69 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -61.12 -31.75 71.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.85 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 494' ' ' LEU . 95.2 t -65.23 -51.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.639 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -28.45 36.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.74 78.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.419 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 0.8 OUTLIER -66.8 -48.29 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -52.21 -34.23 44.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -75.39 -26.4 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.445 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . 0.442 ' OD1' HD13 ' A' ' 465' ' ' LEU . 0.7 OUTLIER -75.95 -42.41 48.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -36.27 79.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.183 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -62.04 -32.43 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.594 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -66.69 -38.93 87.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.803 HG21 ' HB2' ' A' ' 534' ' ' LEU . 94.5 m -55.93 -46.9 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.7 OUTLIER -58.39 -54.08 51.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.478 179.486 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.42 -38.29 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.671 ' O ' HG12 ' A' ' 515' ' ' VAL . 9.1 m80 -57.39 -35.55 70.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.741 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.457 ' CZ ' ' HB ' ' A' ' 530' ' ' VAL . 0.2 OUTLIER -63.1 -56.51 16.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.876 179.785 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.25 -28.63 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.413 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -65.48 -60.24 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.974 HG11 HD11 ' A' ' 526' ' ' ILE . 12.3 p -61.32 -21.75 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -79.54 -23.24 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 21.6 mtp -83.39 -24.78 31.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.776 0.322 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.6 m -110.05 -41.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.89 75.67 71.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.83 -49.9 14.2 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.599 2.2 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -52.74 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -62.38 -36.96 83.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.56 -32.6 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.189 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.33 54.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.197 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -80.32 -24.5 39.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.974 HD11 HG11 ' A' ' 515' ' ' VAL . 23.7 pt -91.63 -11.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.831 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.452 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.9 OUTLIER -41.14 -48.76 3.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.772 0.32 . . . . 0.0 111.567 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -62.35 -33.45 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.721 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 532' ' ' THR . 0.4 OUTLIER -75.51 -48.75 21.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.227 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.457 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 46.1 t -60.35 -32.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.17 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.426 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 4.6 mmt -67.37 -54.88 16.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.4 t -58.27 -32.89 68.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.45 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -58.71 -37.92 77.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.079 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.803 ' HB2' HG21 ' A' ' 508' ' ' THR . 2.5 tm? -70.74 -43.52 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.283 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 531' ' ' MET . 2.0 mtp-105 -65.14 -37.22 86.72 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.574 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.673 HG13 ' HG3' ' A' ' 540' ' ' ARG . 5.9 t -57.75 -35.01 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.135 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 538' ' ' TYR . 0.2 OUTLIER -61.38 -51.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.411 179.435 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . 0.466 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.54 -40.39 56.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.14 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.45 -53.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.673 ' HG3' HG13 ' A' ' 536' ' ' VAL . 5.6 mtm180 -57.96 -33.26 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 31.8 ttm -58.9 -35.28 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.055 0.455 . . . . 0.0 110.031 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.406 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.47 -39.55 94.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.819 ' OG ' HD21 ' A' ' 473' ' ' LEU . 9.7 t -62.34 -42.49 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.5 mt -63.25 -28.37 69.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.622 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 13.8 t -72.21 -34.05 68.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 0.0 110.494 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 544' ' ' SER . 23.4 mt -62.37 -40.21 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.511 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.71 -31.94 22.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.13 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.931 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.1 OUTLIER -55.96 -22.28 25.61 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.063 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . 0.41 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 88.4 m-20 -48.47 -28.85 3.56 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.466 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.3 t -106.3 75.15 0.35 Allowed Pre-proline 0 N--CA 1.454 -0.229 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.703 178.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.6 Cg_endo -45.34 -28.92 4.15 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.8 2.334 . . . . 0.0 112.329 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.43 -54.07 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.466 ' H ' HG12 ' A' ' 551' ' ' VAL . 69.2 t -74.16 -42.77 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.414 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.856 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.47 -36.12 54.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.599 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.89 -50.73 22.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.76 -44.44 96.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 487' ' ' PRO . 2.5 pp -70.85 -36.9 66.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.576 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 11.5 mm100 -62.1 -45.25 94.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 111.161 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -46.39 85.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -78.57 -35.87 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.477 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.942 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.4 t -61.35 -53.86 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.773 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.7 t0 -58.95 -38.99 80.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.483 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.416 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.942 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.04 -32.09 59.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.556 -179.334 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.2 mt -86.78 -15.51 39.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 5.7 mm100 -54.92 -50.99 67.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.405 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -58.26 -36.68 73.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.877 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.918 0.39 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.7 71.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -39.1 83.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -31.37 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.54 -37.93 74.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -51.64 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.4 ' HA ' HD23 ' A' ' 471' ' ' LEU . 0.0 OUTLIER -60.0 -28.74 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.792 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -83.71 -50.39 8.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -45.28 93.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.607 HD12 ' ND2' ' A' ' 475' ' ' ASN . 0.4 OUTLIER -66.29 -35.27 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.404 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -69.02 -45.63 70.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.482 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -68.19 -42.2 80.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.115 179.344 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.35 -27.65 69.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.607 ' ND2' HD12 ' A' ' 471' ' ' LEU . 13.1 m-20 -65.08 -51.91 58.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.493 ' CD2' HD22 ' A' ' 494' ' ' LEU . 2.0 p90 -62.74 -34.58 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.052 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 480' ' ' LEU . 23.1 mm -54.58 -34.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.223 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.1 m -68.35 -47.34 67.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.573 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.631 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.49 -18.53 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.336 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.689 HD12 HD13 ' A' ' 477' ' ' ILE . 14.4 mt -68.88 -47.28 66.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.323 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.721 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.8 mp0 -80.46 -12.62 59.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -33.88 -51.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.755 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 481' ' ' GLN . 41.1 t 43.47 94.7 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.88 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -71.42 134.01 30.72 Favored 'Cis proline' 0 C--N 1.347 0.448 0 C-N-CA 123.647 -1.397 . . . . 0.0 111.978 -0.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.606 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 82.4 Cg_endo -77.98 170.19 19.26 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.378 2.052 . . . . 0.0 112.233 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.663 ' O ' HG13 ' A' ' 490' ' ' VAL . 17.3 mtt85 -116.35 73.14 5.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.486 ' HA ' HG22 ' A' ' 490' ' ' VAL . 88.3 Cg_exo -46.21 -25.82 3.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.579 2.186 . . . . 0.0 112.682 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -27.11 24.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.352 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 8.8 t-160 -86.34 -36.23 19.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.501 0.667 . . . . 0.0 109.265 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.785 ' O ' HD23 ' A' ' 494' ' ' LEU . 4.4 m -65.71 -36.33 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.531 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.478 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -59.51 -27.44 66.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.365 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 0.6 OUTLIER -70.18 -55.89 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.313 179.456 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -54.83 -29.36 54.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 179.415 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.9 mm? -63.92 -53.61 47.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.803 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.688 ' CB ' HD11 ' A' ' 565' ' ' LEU . 1.1 ptmt -53.88 -26.65 25.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.793 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.447 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -76.2 -54.32 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.101 179.214 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.408 ' CE2' ' OE2' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -56.72 -37.91 71.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.95 HG22 ' HE2' ' A' ' 541' ' ' MET . 77.9 t -68.02 -47.51 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.464 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -26.13 61.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.677 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.8 -39.37 69.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.408 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 2.0 mt-10 -67.15 -42.97 83.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.391 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -55.04 -42.5 72.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.489 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . 0.589 ' OD1' HD11 ' A' ' 537' ' ' ILE . 5.4 t70 -66.45 -46.81 75.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.596 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -56.08 -49.24 74.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.424 179.659 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -66.65 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.153 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -69.99 -31.9 69.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.162 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 530' ' ' VAL . 67.1 m -61.04 -52.52 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.8 mp -56.88 -33.7 67.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -63.11 -45.76 90.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.682 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.1 OUTLIER -60.24 -32.77 71.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.712 179.789 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -58.73 -53.91 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.609 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.82 -37.77 64.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.12 -55.25 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.761 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.994 HG11 HD11 ' A' ' 526' ' ' ILE . 7.4 p -60.79 -24.81 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -74.75 -23.29 58.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 32.9 mtm -86.45 -23.76 25.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.366 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.84 -41.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.403 ' CB ' ' HG2' ' A' ' 522' ' ' LYS . 26.9 m-20 -130.9 73.98 80.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -40.35 78.32 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.613 2.208 . . . . 0.0 112.172 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.34 -54.62 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -68.49 -28.02 66.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -58.76 -34.03 70.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.36 57.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . 0.407 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 7.2 mt-30 -77.02 -27.25 54.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.994 HD11 HG11 ' A' ' 515' ' ' VAL . 28.2 pt -84.16 -12.31 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.615 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.08 -43.97 2.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.821 0.344 . . . . 0.0 111.617 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -76.54 -30.94 57.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.865 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -72.91 -46.83 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.529 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 512' ' ' PHE . 60.2 t -63.27 -32.86 57.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.619 ' HA ' HD12 ' A' ' 534' ' ' LEU . 2.1 mmt -61.82 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.743 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.865 HG22 ' O ' ' A' ' 529' ' ' GLN . 6.0 t -66.67 -25.29 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.399 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.864 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.4 OUTLIER -62.81 -40.36 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.07 179.44 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -66.27 -54.83 20.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.253 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 8.5 ptm180 -62.35 -30.57 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 532' ' ' THR . 4.1 t -65.68 -35.7 75.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -58.72 -49.87 81.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.232 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -78.05 -36.85 47.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.6 -56.27 17.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.925 0.393 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -57.06 -33.04 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.408 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.95 ' HE2' HG22 ' A' ' 498' ' ' VAL . 5.1 ttm -58.46 -35.44 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.009 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -69.47 -32.61 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.374 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -64.57 -43.1 94.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.815 ' HA ' HD12 ' A' ' 547' ' ' LEU . 0.8 OUTLIER -62.94 -37.21 86.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.659 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.32 -37.83 75.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.5 t -64.89 -37.36 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.353 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.3 mt -59.5 -45.1 92.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -82.24 -28.89 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.318 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.906 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -59.61 -20.54 56.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . 0.413 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 83.4 m-20 -47.05 -29.12 1.97 Allowed 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.155 0.502 . . . . 0.0 109.978 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.28 75.12 0.35 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.673 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 3.2 Cg_endo -46.78 -28.84 7.22 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.792 2.328 . . . . 0.0 112.364 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.23 48.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.81 -44.47 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.808 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.95 -31.28 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.57 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.05 -53.24 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.062 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.46 -45.26 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 562' ' ' VAL . 2.5 pp -64.8 -36.73 78.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -61.75 -36.68 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.7 -54.15 46.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.39 -35.55 65.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 558' ' ' ILE . 18.0 t -64.62 -55.24 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.78 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.03 -28.06 64.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.64 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.568 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.1 mt-10 -80.78 -24.63 38.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -82.14 -36.65 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.77 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.751 HD22 HG11 ' A' ' 498' ' ' VAL . 3.4 mt -86.76 -21.57 26.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.568 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pp0? -67.6 -59.58 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -27.98 29.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.93 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.669 ' HA ' HD12 ' A' ' 465' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.126 0.489 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.792 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.9 -37.79 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.763 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 462' ' ' GLU . 5.9 mt -66.29 -34.52 78.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -70.0 -45.54 67.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -47.91 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 3.3 mtp-105 -58.15 -30.73 66.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -83.89 -48.31 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.772 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -50.2 74.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.714 HD12 HD22 ' A' ' 475' ' ' ASN . 1.1 pp -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.648 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.23 -40.11 93.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.048 0.451 . . . . 0.0 110.173 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -71.18 -49.44 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.757 179.076 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.48 -26.0 68.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.422 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.714 HD22 HD12 ' A' ' 471' ' ' LEU . 5.4 m-80 -70.4 -49.67 46.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.398 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.63 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -67.63 -32.49 73.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.212 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.781 HD13 HD12 ' A' ' 480' ' ' LEU . 14.9 mm -61.06 -33.44 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.974 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 80.2 m -60.42 -45.84 92.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.889 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.635 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.06 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 548' ' ' LEU . 11.1 mt -58.57 -41.57 85.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.322 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 483' ' ' VAL . 92.5 mm-40 -84.45 -13.46 52.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.359 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -37.11 -55.72 0.94 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.91 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 481' ' ' GLN . 46.8 t 48.06 96.31 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.642 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.75 134.73 32.58 Favored 'Cis proline' 0 C--N 1.348 0.504 0 C-N-CA 123.574 -1.427 . . . . 0.0 112.022 0.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -83.23 155.23 14.53 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.492 2.128 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.771 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.0 OUTLIER -103.25 79.54 0.32 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.512 ' HA ' HG22 ' A' ' 490' ' ' VAL . 8.0 Cg_endo -49.83 -23.03 7.99 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.628 2.218 . . . . 0.0 112.21 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -87.89 -27.05 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.9 t-160 -86.54 -36.2 19.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.85 -37.71 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.486 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.774 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.29 -24.4 67.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.29 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 2.3 t30 -69.52 -54.51 13.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.647 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.448 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -54.83 -26.84 37.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 498' ' ' VAL . 4.0 mm? -68.02 -49.14 63.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.232 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 5.3 ptmt -57.39 -29.75 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.988 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -83.76 -47.84 10.73 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.117 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -55.03 -39.01 68.69 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 494' ' ' LEU . 59.5 t -63.95 -41.81 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.296 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.82 61.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.75 67.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.41 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.405 ' OE2' ' CE1' ' A' ' 497' ' ' TYR . 1.1 mt-10 -64.5 -48.32 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.026 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.53 -37.81 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.324 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.72 -33.3 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.109 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.65 -42.32 95.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.295 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.624 ' HA ' HD13 ' A' ' 537' ' ' ILE . 3.9 ttt-85 -59.98 -42.22 93.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.205 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.51 -29.91 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.086 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.987 HG22 HG13 ' A' ' 530' ' ' VAL . 9.2 m -63.01 -44.27 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.43 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.0 mp -55.98 -37.95 69.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.771 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.58 -49.21 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.732 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.813 ' O ' HG12 ' A' ' 515' ' ' VAL . 1.1 m-70 -57.82 -38.32 75.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.745 ' CD1' HG21 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -54.99 -51.39 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.549 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.71 -34.43 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.089 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -64.6 -58.51 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.925 HG11 ' CD1' ' A' ' 526' ' ' ILE . 14.6 p -60.48 -24.39 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.09 -23.39 54.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.1 mtm -84.84 -24.51 28.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.332 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -110.1 -41.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.427 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -126.91 80.26 71.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.72 -50.66 11.87 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.582 2.188 . . . . 0.0 112.359 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -51.49 69.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -40.57 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.802 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.23 -31.84 54.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.22 -30.27 57.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -74.64 -29.89 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.925 ' CD1' HG11 ' A' ' 515' ' ' VAL . 36.3 pt -85.33 -12.6 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.567 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.06 -44.06 2.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.788 0.328 . . . . 0.0 111.692 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -79.76 -30.08 40.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.682 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -75.34 -45.76 37.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.556 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.987 HG13 HG22 ' A' ' 508' ' ' THR . 63.8 t -62.79 -33.03 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.092 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.614 ' HA ' HD12 ' A' ' 534' ' ' LEU . 2.2 mmt -65.11 -52.86 52.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.448 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.1 t -58.56 -28.71 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.647 ' HB3' HG21 ' A' ' 508' ' ' THR . 0.1 OUTLIER -57.9 -46.1 85.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -64.09 -44.69 91.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.114 0.483 . . . . 0.0 109.809 179.121 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -58.37 -39.75 80.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.955 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.673 HG13 ' HG3' ' A' ' 540' ' ' ARG . 42.5 t -55.72 -40.5 61.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.708 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.624 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.65 -52.37 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.684 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -75.89 -40.34 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.301 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.49 -55.75 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.673 ' HG3' HG13 ' A' ' 536' ' ' VAL . 1.7 mtt180 -57.38 -30.09 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.4 ' HB2' ' HE3' ' A' ' 541' ' ' MET . 35.6 ttm -60.32 -36.35 77.73 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . 0.643 ' HA ' HD12 ' A' ' 545' ' ' LEU . 4.0 m-80 -65.89 -35.04 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.878 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.91 -44.69 86.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.475 ' HB3' HD21 ' A' ' 473' ' ' LEU . 0.9 OUTLIER -57.4 -39.15 75.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.083 179.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 542' ' ' ASN . 40.0 mt -60.31 -28.56 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.591 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 0.3 OUTLIER -69.01 -39.04 79.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 110.404 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 544' ' ' SER . 25.2 mt -60.57 -48.18 82.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.363 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -74.07 -31.51 62.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.45 179.175 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.904 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.3 OUTLIER -54.53 -23.99 18.83 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.859 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 89.1 m-20 -46.62 -29.2 1.73 Allowed 'General case' 0 C--N 1.339 0.109 0 CA-C-O 121.248 0.547 . . . . 0.0 109.561 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.1 t -107.23 74.5 0.4 Allowed Pre-proline 0 N--CA 1.456 -0.168 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.478 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.3 Cg_endo -45.16 -29.08 3.89 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.749 2.299 . . . . 0.0 112.558 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.44 -50.9 41.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.966 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 551' ' ' VAL . 70.9 t -77.76 -40.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.904 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.88 -34.09 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.795 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -77.97 -50.21 12.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.669 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 554' ' ' VAL . 14.7 pt-20 -61.48 -40.25 93.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.38 -38.9 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.745 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -43.09 97.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 110.958 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.62 -47.27 84.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.025 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.04 -39.42 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.912 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.0 t -62.15 -54.77 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.767 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 1.8 m-20 -57.8 -35.22 70.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.386 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.514 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 63.9 mt-10 -71.39 -24.46 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.365 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.912 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -78.02 -32.89 51.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.837 -179.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.4 mt -86.82 -16.34 36.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.514 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 12.6 mt-30 -54.22 -45.96 72.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.928 0.394 . . . . 0.0 110.715 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -27.96 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.168 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.988 0.423 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.66 72.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.874 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -38.8 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.799 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.97 -36.52 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -72.89 -40.71 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.75 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.13 -51.97 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 44.1 mtt180 -57.3 -31.13 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -82.44 -45.98 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.737 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -52.21 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.223 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.714 HD12 HD22 ' A' ' 475' ' ' ASN . 1.2 pp -62.79 -36.95 84.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -66.1 -40.61 90.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.026 0.441 . . . . 0.0 110.386 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 473' ' ' LEU . 1.2 tm? -72.6 -46.28 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.819 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -27.0 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.505 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.714 HD22 HD12 ' A' ' 471' ' ' LEU . 5.8 m-80 -70.27 -47.85 59.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.496 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -64.99 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.978 0.418 . . . . 0.0 110.087 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.548 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -57.4 -34.08 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.379 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 98.1 m -59.15 -46.64 87.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.01 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.64 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.25 -29.79 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.291 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.2 mt -60.81 -42.72 98.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.172 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.711 ' O ' HG23 ' A' ' 483' ' ' VAL . 83.5 mm-40 -87.19 -13.13 44.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.468 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -32.15 -54.83 0.31 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.8 t 45.67 96.91 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.853 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 11.7 Cg_exo -71.12 132.35 23.86 Favored 'Cis proline' 0 C--N 1.349 0.567 0 C-N-CA 123.746 -1.356 . . . . 0.0 111.922 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 484' ' ' PRO . 4.1 Cg_exo -79.2 160.39 26.41 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.549 2.166 . . . . 0.0 112.185 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.747 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.4 OUTLIER -112.58 81.08 3.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.97 -27.51 4.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.739 2.292 . . . . 0.0 112.981 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . 0.483 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -90.32 -21.08 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.479 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.483 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 10.1 t-160 -88.22 -37.77 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.1 m -62.92 -44.31 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.67 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.676 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.51 -28.57 55.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.914 0.388 . . . . 0.0 110.601 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 19.6 t30 -67.57 -51.21 53.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.742 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.496 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.64 -32.42 63.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 498' ' ' VAL . 2.8 mm? -61.81 -51.77 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 0.1 OUTLIER -55.68 -29.53 59.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.256 -179.525 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 493' ' ' MET . 8.1 mtpt -74.28 -48.92 25.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.1 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.425 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -62.75 -33.66 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.708 179.394 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 494' ' ' LEU . 91.8 t -65.11 -50.64 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.41 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -28.15 20.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -44.21 90.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.209 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -58.94 -43.04 91.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.598 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.84 -39.2 88.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.49 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.75 -34.08 71.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.427 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.526 ' HA ' HD13 ' A' ' 537' ' ' ILE . 13.6 ttt85 -58.85 -39.18 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.482 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -63.85 -32.64 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.607 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -38.57 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.437 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.402 HG21 ' HB2' ' A' ' 534' ' ' LEU . 31.8 m -61.85 -39.1 90.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.443 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -70.59 -39.73 73.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.34 179.615 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -72.6 -37.73 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.472 ' O ' HG12 ' A' ' 515' ' ' VAL . 5.9 m80 -59.78 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -59.08 -53.43 58.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.56 -28.89 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.233 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -67.91 -61.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.655 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.014 HG11 HD11 ' A' ' 526' ' ' ILE . 12.7 p -61.71 -21.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -28.49 62.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.878 0.371 . . . . 0.0 110.976 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . 0.406 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.3 OUTLIER -79.36 -47.13 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 519' ' ' ASP . 13.7 m -79.52 -43.75 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.397 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 522' ' ' LYS . 14.4 m-20 -134.85 80.5 49.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.41 -53.17 5.02 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.343 2.029 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -58.6 -49.53 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 519' ' ' ASP . 0.0 OUTLIER -62.47 -36.85 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.528 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -55.6 -31.67 62.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.404 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -76.96 -30.84 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -74.31 -27.0 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.014 HD11 HG11 ' A' ' 515' ' ' VAL . 25.6 pt -91.28 -11.99 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.653 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.489 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 13.9 mtp180 -41.17 -49.49 3.54 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.831 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.27 71.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.627 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -77.91 -50.71 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.195 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 61.8 t -62.72 -30.81 50.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.094 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 1.7 mmt -69.17 -50.68 45.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 529' ' ' GLN . 7.4 t -60.19 -31.73 70.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.527 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.97 -42.59 94.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.255 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 534' ' ' LEU . 1.7 tm? -62.76 -44.05 97.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.032 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -61.19 -44.62 97.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.628 HG13 ' HG3' ' A' ' 540' ' ' ARG . 37.7 t -52.55 -40.32 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.691 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -55.47 -53.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.621 179.601 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . 0.433 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.67 -41.93 52.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.129 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -60.25 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.628 ' HG3' HG13 ' A' ' 536' ' ' VAL . 40.6 mtp85 -56.85 -36.78 70.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.73 -35.02 68.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.24 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.22 -31.11 68.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.85 -39.98 94.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.408 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 t -61.43 -42.96 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.368 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 549' ' ' TYR . 18.2 mt -68.44 -25.77 65.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.773 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.436 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 31.8 t -76.91 -39.82 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.122 0.487 . . . . 0.0 110.192 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 544' ' ' SER . 37.7 mt -59.93 -36.26 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.382 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.65 -29.67 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.008 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.894 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -54.66 -24.15 20.49 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -46.79 -29.61 2.03 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.174 0.511 . . . . 0.0 109.923 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.461 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.1 t -104.83 77.13 0.32 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.792 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.69 -27.42 5.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.715 2.277 . . . . 0.0 112.405 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.74 -53.87 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.461 ' H ' HG12 ' A' ' 551' ' ' VAL . 78.0 t -75.32 -42.64 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.664 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.63 -34.99 40.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.593 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.69 -50.94 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.06 -44.63 94.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.6 pp -69.86 -38.5 75.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.506 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.0 mm-40 -60.5 -41.56 94.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 111.147 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -50.33 74.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.67 -34.35 60.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.399 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.95 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.0 t -65.08 -56.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.66 -29.84 64.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 32.6 mt-10 -77.48 -23.2 50.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.212 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -80.83 -34.17 34.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.514 -179.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.442 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.5 mt -86.81 -17.67 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.7 pt20 -61.06 -52.98 62.65 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.139 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.94 -52.39 65.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.418 ' CG ' ' HA ' ' A' ' 566' ' ' LEU . 24.4 pt-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.032 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.039 0.447 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.61 72.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.1 mtp -67.95 -42.84 80.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 29.4 mt -58.8 -40.4 83.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -65.24 -43.0 92.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.99 -48.36 80.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.709 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -58.04 -31.59 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -83.43 -46.16 12.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -50.75 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.689 HD12 HD22 ' A' ' 475' ' ' ASN . 1.8 pp -62.87 -39.92 95.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.582 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.26 -39.59 92.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.087 0.47 . . . . 0.0 110.136 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.77 HD23 ' CE2' ' A' ' 497' ' ' TYR . 0.2 OUTLIER -70.22 -52.75 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.652 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.82 -25.23 66.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.187 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.689 HD22 HD12 ' A' ' 471' ' ' LEU . 5.5 m-20 -68.49 -50.82 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.542 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.737 ' HE2' HD22 ' A' ' 473' ' ' LEU . 0.7 OUTLIER -70.23 -33.77 72.06 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.935 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.672 HD13 HD12 ' A' ' 480' ' ' LEU . 20.4 mm -60.07 -33.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.894 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 77.2 m -67.11 -46.45 74.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.671 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 482' ' ' ALA . . . -62.95 -28.04 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.129 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.672 HD12 HD13 ' A' ' 477' ' ' ILE . 11.8 mt -59.68 -45.84 90.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.81 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.8 mp0 -87.21 -11.73 48.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.578 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -29.22 -51.84 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 481' ' ' GLN . 62.7 t 47.04 95.57 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.512 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 71.0 Cg_endo -74.31 133.65 32.05 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.519 -1.45 . . . . 0.0 112.15 -0.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 78.6 Cg_endo -77.65 156.98 31.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.327 2.018 . . . . 0.0 112.245 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.924 ' O ' HG13 ' A' ' 490' ' ' VAL . 8.6 mtt85 -113.75 79.46 4.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.035 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.421 ' O ' HG22 ' A' ' 490' ' ' VAL . 75.2 Cg_exo -49.05 -28.59 14.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.45 2.1 . . . . 0.0 112.439 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -23.68 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 14.7 t-160 -87.75 -38.06 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.924 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.5 m -62.39 -36.36 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.712 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.529 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -58.39 -30.36 66.77 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.169 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.12 -45.92 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 475' ' ' ASN . 0.0 OUTLIER -59.29 -36.98 76.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.536 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 490' ' ' VAL . 4.0 mm? -58.2 -47.18 84.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.051 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.694 ' CD ' HD13 ' A' ' 565' ' ' LEU . 11.9 mtpt -49.34 -44.3 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.959 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 496' ' ' LYS . 0.3 OUTLIER -64.07 -47.06 81.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.77 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -66.74 -36.05 81.54 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 494' ' ' LEU . 75.5 t -70.21 -48.58 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.287 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -24.36 65.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.286 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.13 -37.07 72.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.36 -47.78 82.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.016 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -54.99 -35.59 64.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -69.06 -24.81 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.441 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -78.73 -37.34 41.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.379 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.438 ' HA ' HD13 ' A' ' 537' ' ' ILE . 12.1 ttt180 -59.22 -54.83 42.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.056 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -29.24 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.984 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -68.47 -34.87 76.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.771 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.54 HG22 HG12 ' A' ' 530' ' ' VAL . 47.8 m -58.21 -42.44 86.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.163 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -56.08 -53.7 53.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 179.168 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -56.67 -37.41 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.591 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.2 OUTLIER -57.36 -41.87 80.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.515 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.757 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.1 OUTLIER -54.07 -50.12 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.302 179.216 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.13 -32.86 61.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -57.37 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.994 HG11 HD11 ' A' ' 526' ' ' ILE . 11.8 p -62.32 -23.85 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.841 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.76 -23.26 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 13.3 mtm -83.2 -27.2 30.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.153 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 2.7 m -107.46 -39.82 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.17 70.39 78.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.99 -49.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.522 2.148 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -53.25 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.716 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -62.14 -36.33 81.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.07 -32.82 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.62 53.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.69 -24.99 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.994 HD11 HG11 ' A' ' 515' ' ' VAL . 31.0 pt -88.81 -8.07 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.878 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.544 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.55 -45.05 3.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.5 m -71.78 -30.2 65.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.801 ' O ' HG22 ' A' ' 532' ' ' THR . 0.4 OUTLIER -73.01 -44.79 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.428 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.757 HG11 ' CD2' ' A' ' 512' ' ' PHE . 11.7 t -58.6 -32.97 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.22 0.533 . . . . 0.0 110.427 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.588 ' HA ' HD12 ' A' ' 534' ' ' LEU . 5.9 mmt -63.34 -55.65 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.436 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.0 t -54.6 -26.43 32.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.278 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -50.79 72.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.196 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -59.61 -42.57 92.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.19 0.519 . . . . 0.0 109.945 179.144 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.419 ' H ' ' HG3' ' A' ' 535' ' ' ARG . 2.7 mtp-105 -61.6 -41.1 96.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.042 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 532' ' ' THR . 39.5 t -56.66 -38.32 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.588 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -55.84 -53.06 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.19 179.363 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.15 -46.73 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.71 -48.86 76.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.634 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.524 ' CG ' HG13 ' A' ' 536' ' ' VAL . 30.4 mmt-85 -59.23 -32.48 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.4 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.413 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 27.4 ttm -57.44 -37.02 72.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.027 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -68.44 -33.74 74.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.229 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -41.41 96.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.532 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.487 ' HB2' HD21 ' A' ' 473' ' ' LEU . 4.2 t -60.16 -44.02 95.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.409 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.434 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 51.1 mt -56.38 -31.78 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 2.3 m -70.6 -43.28 69.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.452 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.9 mt -60.7 -38.5 85.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.8 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -86.16 -29.64 23.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.212 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.908 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.0 OUTLIER -59.03 -20.82 56.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.746 0.308 . . . . 0.0 110.327 178.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -46.29 -29.64 1.72 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.962 0.41 . . . . 0.0 110.311 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.2 t -104.07 78.08 0.31 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.185 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -47.82 -27.39 8.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.608 2.205 . . . . 0.0 112.322 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 556' ' ' GLU . . . -71.17 -49.49 43.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.419 ' H ' HG12 ' A' ' 551' ' ' VAL . 91.9 t -81.56 -42.93 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.634 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.57 -36.15 55.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.93 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 553' ' ' ALA . 0.0 OUTLIER -75.48 -37.92 59.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.372 -179.509 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.67 -44.15 62.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.11 0.481 . . . . 0.0 110.145 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.488 HG21 HG21 ' A' ' 490' ' ' VAL . 2.6 pp -69.44 -35.59 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.2 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.6 mm-40 -60.37 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.367 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.55 -54.29 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.702 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.4 -35.8 71.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.289 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.529 HG23 ' HB2' ' A' ' 491' ' ' PHE . 3.1 t -63.69 -56.48 16.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.301 . . . . 0.0 110.348 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -50.87 -32.41 20.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.223 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 10.5 mt-10 -68.88 -26.58 65.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.237 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.694 HD13 ' CD ' ' A' ' 495' ' ' LYS . 0.5 OUTLIER -74.8 -38.42 62.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 111.527 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.2 mp -79.31 -16.87 55.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.532 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 13.8 mt-30 -56.06 -48.98 75.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.632 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -84.03 -32.05 25.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.486 179.75 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.02 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.687 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 5.0 mmm -67.26 -43.58 81.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.36 -34.8 79.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.17 -30.67 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.32 -58.45 6.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 3.0 ptm180 -57.25 -30.26 64.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.676 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . 0.424 ' HG3' ' HG2' ' A' ' 501' ' ' GLU . 0.1 OUTLIER -78.35 -50.08 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.655 179.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -60.32 3.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 0.0 110.246 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.668 HD12 ' ND2' ' A' ' 475' ' ' ASN . 0.4 OUTLIER -53.19 -32.39 47.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.643 179.691 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -68.93 -49.98 53.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.628 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -68.79 -38.55 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.975 179.365 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.23 -25.06 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.668 ' ND2' HD12 ' A' ' 471' ' ' LEU . 9.0 m-20 -69.62 -51.24 36.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.19 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.469 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.4 OUTLIER -63.84 -36.65 84.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.11 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 15.2 mm -57.02 -34.28 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.332 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 83.8 m -66.99 -46.45 74.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -61.08 -27.81 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.189 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.8 mt -59.44 -50.95 71.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.408 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.667 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.3 mp0 -80.79 -12.79 59.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.759 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.63 -52.51 0.68 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.8 t 45.72 96.76 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.751 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.31 134.49 28.82 Favored 'Cis proline' 0 C--N 1.348 0.525 0 C-N-CA 123.538 -1.443 . . . . 0.0 112.006 -0.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 93.4 Cg_endo -86.49 155.13 9.18 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.524 2.149 . . . . 0.0 112.493 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.906 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.4 mtm-85 -105.7 76.38 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 490' ' ' VAL . 10.2 Cg_endo -53.26 -23.91 24.9 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.645 2.23 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.93 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.422 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.4 t-160 -87.95 -35.96 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.906 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.1 m -64.11 -34.96 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.502 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.484 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -60.65 -28.77 68.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.121 179.515 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 6.7 t30 -68.66 -55.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -52.01 -28.73 18.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.851 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.9 mm? -63.48 -54.57 34.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 11.9 ptmt -55.2 -26.18 37.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.005 179.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.402 ' OH ' ' HA ' ' A' ' 541' ' ' MET . 0.0 OUTLIER -59.26 -27.88 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.923 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 494' ' ' LEU . 75.1 t -73.09 -55.44 12.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.287 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -28.16 9.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.958 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.52 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.791 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.424 ' HG2' ' HG3' ' A' ' 469' ' ' ARG . 2.6 mt-10 -61.33 -44.83 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.493 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -55.9 -43.15 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.74 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.677 ' HA ' HD13 ' A' ' 537' ' ' ILE . 3.9 ttp180 -59.02 -39.59 82.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.666 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -31.96 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -32.43 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 533' ' ' HIS . 91.2 m -67.15 -31.9 72.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.588 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -68.96 -40.04 79.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.202 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -59.55 -41.36 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.788 ' O ' HG12 ' A' ' 515' ' ' VAL . 8.5 m80 -60.01 -42.52 94.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.97 -47.83 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.971 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -81.54 -39.33 24.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 518' ' ' VAL . 2.5 t-160 -63.53 -55.64 22.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 526' ' ' ILE . 8.5 p -65.01 -28.49 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.264 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.53 -23.53 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 68.7 mtm -89.86 -15.35 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 514' ' ' HIS . 21.8 m -116.37 -46.2 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 111.512 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 518' ' ' VAL . 29.1 m-20 -125.25 74.02 67.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.291 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.45 -31.66 88.19 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.645 2.23 . . . . 0.0 112.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.24 -57.08 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.554 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -75.05 -27.11 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -55.08 -39.6 69.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.419 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -72.52 -31.01 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -76.23 -28.85 57.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.054 HD11 HG11 ' A' ' 515' ' ' VAL . 36.2 pt -85.43 -17.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.503 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 20.9 mtp180 -40.99 -52.37 3.14 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.666 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -36.06 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.896 0.379 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.768 ' O ' HG22 ' A' ' 532' ' ' THR . 0.6 OUTLIER -74.58 -38.44 62.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.242 179.769 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 526' ' ' ILE . 21.9 t -69.62 -34.51 61.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.442 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.617 ' HA ' HD12 ' A' ' 534' ' ' LEU . 9.8 mmt -64.28 -41.25 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.46 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 529' ' ' GLN . 11.5 t -68.49 -26.21 65.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.747 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -62.6 -39.85 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.52 -53.96 19.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.184 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.517 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 9.2 ptm180 -63.63 -29.53 70.76 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.235 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -64.25 -37.22 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -57.93 -53.16 49.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.99 179.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . 0.405 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.7 OUTLIER -72.9 -46.29 53.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.658 179.676 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -56.3 -47.46 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -58.1 -33.21 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.445 ' HB2' ' HE3' ' A' ' 541' ' ' MET . 21.5 ttm -58.25 -35.9 72.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.96 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . 0.522 ' HA ' HD12 ' A' ' 545' ' ' LEU . 18.4 m120 -69.27 -31.85 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.305 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.28 -43.52 97.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.624 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.602 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.5 t -61.32 -39.23 89.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 542' ' ' ASN . 48.0 mt -61.1 -29.67 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.679 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.7 OUTLIER -70.95 -34.27 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 544' ' ' SER . 27.7 mt -62.84 -37.32 86.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.49 -33.12 19.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.047 179.483 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.943 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.3 m-85 -53.52 -23.99 12.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 81.2 m-20 -48.05 -28.59 2.92 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.108 0.48 . . . . 0.0 110.061 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.16 76.41 0.31 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.899 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 4.0 Cg_endo -47.48 -28.5 8.83 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.31 -48.55 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.3 t -82.92 -42.05 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.865 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.88 -36.24 47.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.108 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.77 -42.04 58.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.88 -42.86 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.115 0.483 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.427 HD11 HD11 ' A' ' 548' ' ' LEU . 2.3 pp -71.44 -36.17 59.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.749 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -63.71 -45.89 87.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.807 0.337 . . . . 0.0 111.133 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -44.67 85.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.84 -41.28 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.836 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.7 t -61.29 -53.76 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.696 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -34.84 70.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 30.7 mt-10 -70.29 -24.37 63.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -75.95 -35.24 59.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.909 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.8 mp -86.7 -16.2 37.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.533 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 14.7 mt-30 -52.97 -47.1 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -77.66 -32.78 53.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.635 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.616 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 465' ' ' LEU . 5.9 mt-10 . . . . . 0 N--CA 1.46 0.063 0 CA-C-O 121.049 0.452 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.5 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.648 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.1 mmm -67.26 -36.27 81.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 462' ' ' GLU . 4.0 mt -64.84 -45.28 86.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.767 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -62.53 -36.06 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.38 -48.46 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -57.07 -34.93 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -82.28 -45.12 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.668 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.89 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.705 HD12 HD22 ' A' ' 475' ' ' ASN . 1.3 pp -61.17 -39.77 91.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.602 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.73 -40.52 92.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.037 0.446 . . . . 0.0 110.184 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 544' ' ' SER . 0.6 OUTLIER -70.07 -50.93 36.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.812 179.078 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -26.75 68.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.632 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.705 HD22 HD12 ' A' ' 471' ' ' LEU . 8.2 m-20 -71.08 -49.11 48.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.383 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.679 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -69.62 -30.57 68.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.226 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.855 HD13 HD12 ' A' ' 480' ' ' LEU . 19.2 mm -63.48 -33.64 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.031 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 66.9 m -60.84 -45.22 95.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -66.42 -26.05 67.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.855 HD12 HD13 ' A' ' 477' ' ' ILE . 9.9 mt -64.45 -41.74 96.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.26 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 483' ' ' VAL . 72.6 mm-40 -84.5 -13.93 50.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.701 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -36.89 -55.5 0.9 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.0 t 44.82 95.75 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.903 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.46 134.54 27.27 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.0 -0.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 85.1 Cg_endo -82.76 167.62 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.38 2.053 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.599 ' O ' HG13 ' A' ' 490' ' ' VAL . 29.3 mtt180 -112.11 78.11 2.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.434 ' O ' HG22 ' A' ' 558' ' ' ILE . 84.5 Cg_exo -46.29 -27.26 4.59 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.475 2.117 . . . . 0.0 112.721 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -88.4 -21.87 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.578 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.487 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 2.4 t-160 -88.14 -37.79 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.749 ' O ' HD23 ' A' ' 494' ' ' LEU . 5.9 m -64.27 -39.26 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.866 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.805 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.54 -27.3 69.16 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' A' ' 496' ' ' LYS . 11.8 t30 -65.26 -59.56 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.432 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -51.72 -29.67 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.943 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.9 mm? -62.3 -49.55 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 6.8 ptmt -60.46 -29.24 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.701 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -79.96 -44.52 20.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.031 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.55 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -62.73 -35.31 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.521 179.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 494' ' ' LEU . 77.3 t -67.05 -47.85 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.398 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -26.06 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.611 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.87 -40.26 72.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.09 -42.78 99.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.1 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -57.41 -35.73 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.456 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.97 -38.44 88.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.16 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -73.76 -39.13 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.335 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.598 ' HA ' HD13 ' A' ' 537' ' ' ILE . 14.6 ttm180 -59.9 -54.35 47.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.244 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -61.26 -27.81 68.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.83 79.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.195 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.0 m -60.19 -48.2 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.097 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 1.0 OUTLIER -56.96 -52.13 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.496 179.29 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.24 -43.24 92.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.043 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.567 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.2 OUTLIER -57.17 -45.24 83.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.866 0.365 . . . . 0.0 110.76 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.553 ' CD1' HG11 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -56.87 -46.41 81.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.056 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -45.42 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 518' ' ' VAL . 0.3 OUTLIER -57.91 -52.0 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.06 HG11 HD11 ' A' ' 526' ' ' ILE . 10.3 p -62.97 -24.21 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.206 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 12.4 ttm105 -76.36 -23.25 54.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.181 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 10.9 mtp -87.27 -21.4 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.407 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 519' ' ' ASP . 14.2 m -114.14 -44.67 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 111.504 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.42 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.2 m-20 -122.65 77.64 47.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.45 -55.29 2.22 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.92 -50.85 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.635 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -39.08 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.65 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.521 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -56.46 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.274 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.17 60.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -40.09 51.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.107 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.06 HD11 HG11 ' A' ' 515' ' ' VAL . 38.7 pt -71.92 -17.73 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.587 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.497 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 3.8 mtp180 -40.66 -45.68 2.42 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 57.8 m -73.14 -32.55 64.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.59 ' O ' HG22 ' A' ' 532' ' ' THR . 1.0 OUTLIER -78.68 -50.19 11.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.432 -179.732 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.553 HG11 ' CD1' ' A' ' 512' ' ' PHE . 39.3 t -61.02 -31.18 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.2 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 10.6 mmt -68.46 -52.27 34.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 536' ' ' VAL . 11.9 t -61.21 -32.85 72.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.987 0.422 . . . . 0.0 110.217 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.555 ' O ' HD12 ' A' ' 537' ' ' ILE . 2.3 t60 -58.56 -39.47 80.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.312 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.54 HD21 ' HG2' ' A' ' 505' ' ' ARG . 1.0 OUTLIER -67.73 -48.57 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.189 179.356 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.46 -36.77 81.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 532' ' ' THR . 45.8 t -58.59 -39.74 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.364 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.598 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.4 OUTLIER -54.76 -54.46 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . 0.44 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.07 -43.28 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.096 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -58.99 -54.7 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.506 ' CG ' HG13 ' A' ' 536' ' ' VAL . 14.0 mmm180 -54.73 -37.5 65.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.688 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.651 ' HE1' HG22 ' A' ' 498' ' ' VAL . 7.7 ttm -56.08 -35.06 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -71.37 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.1 -41.44 74.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.911 ' HA ' HD12 ' A' ' 547' ' ' LEU . 5.5 m -60.41 -37.59 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.77 -53.86 50.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 m -50.36 -34.8 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.42 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.911 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.3 mt -62.51 -41.85 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.646 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.928 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -83.64 -31.74 26.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.928 ' N ' HD13 ' A' ' 548' ' ' LEU . 5.1 m-85 -55.95 -22.75 28.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.205 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -47.53 -29.46 2.82 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.105 0.479 . . . . 0.0 109.913 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.0 t -104.72 77.68 0.33 Allowed Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.914 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.32 -28.29 5.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.778 2.319 . . . . 0.0 112.467 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.87 -54.13 12.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 551' ' ' VAL . 84.4 t -75.07 -43.21 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.875 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.55 -36.43 45.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.735 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.2 -50.13 20.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.505 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -71.52 -39.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.85 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.488 ' N ' HD12 ' A' ' 558' ' ' ILE . 8.9 mm-40 -60.71 -41.96 96.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 111.309 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.47 -50.99 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.74 -33.75 62.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.561 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.95 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.6 t -63.18 -53.92 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.153 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.98 -34.87 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.9 0.381 . . . . 0.0 110.565 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.474 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.0 mm-40 -73.33 -24.61 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.376 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -80.0 -31.5 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.495 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.421 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.75 -17.01 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 22.6 mt-30 -49.88 -41.02 44.69 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.085 0.469 . . . . 0.0 110.569 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -32.4 50.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.897 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.079 0.466 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.17 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.771 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 30.1 mtp -64.98 -41.85 95.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.752 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.94 -32.24 73.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.28 -40.94 74.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -53.32 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -87.5 -37.95 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.806 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -48.83 58.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.685 HD12 HD22 ' A' ' 475' ' ' ASN . 1.8 pp -65.61 -36.71 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.402 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.25 86.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.832 HD23 ' CD2' ' A' ' 497' ' ' TYR . 0.5 OUTLIER -75.39 -45.54 38.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.928 179.148 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -28.13 68.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.685 HD22 HD12 ' A' ' 471' ' ' LEU . 8.9 m-20 -71.03 -44.78 65.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.62 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.37 -37.82 83.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.97 0.414 . . . . 0.0 110.131 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.566 HD13 HD12 ' A' ' 480' ' ' LEU . 16.5 mm -57.32 -34.25 45.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.371 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.2 m -58.44 -46.67 86.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.982 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.522 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -63.76 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.31 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.2 mt -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.201 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 483' ' ' VAL . 86.4 mm-40 -85.28 -13.14 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.42 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.54 -55.45 0.68 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.929 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 481' ' ' GLN . 47.7 t 47.04 96.59 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.58 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 59.3 Cg_endo -71.96 134.97 35.77 Favored 'Cis proline' 0 C--N 1.348 0.541 0 C-N-CA 123.425 -1.49 . . . . 0.0 112.296 0.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -82.09 152.81 16.5 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.591 2.194 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.69 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.0 OUTLIER -102.57 81.18 0.36 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.808 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.442 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.2 Cg_endo -48.29 -25.96 7.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.764 2.31 . . . . 0.0 112.305 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 489' ' ' HIS . 0.1 OUTLIER -86.54 -24.45 25.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.167 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.466 ' O ' ' CE ' ' A' ' 493' ' ' MET . 2.2 t-160 -87.5 -36.09 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.97 -36.84 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.858 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.674 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -62.18 -22.93 66.3 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 20.9 t30 -73.51 -53.96 9.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -55.75 -30.75 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.627 179.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.7 mm? -63.4 -50.18 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.412 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.681 ' HB2' HD11 ' A' ' 565' ' ' LEU . 10.0 ptmt -59.27 -30.62 68.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -73.67 -44.54 56.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.344 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.832 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -66.52 -33.47 75.76 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 494' ' ' LEU . 85.2 t -66.01 -50.8 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.411 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -28.03 30.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.645 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.51 77.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.4 ' HG3' ' HA ' ' A' ' 498' ' ' VAL . 1.0 OUTLIER -61.55 -45.55 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.588 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -54.56 -45.29 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.749 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -32.0 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.619 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.19 -44.28 76.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.716 ' HA ' HD13 ' A' ' 537' ' ' ILE . 45.6 ttt180 -56.78 -48.77 77.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.668 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.43 -29.15 68.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.563 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -40.86 75.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 1.008 HG22 HG13 ' A' ' 530' ' ' VAL . 2.3 m -58.1 -38.16 75.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.492 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -57.8 -52.94 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.554 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -35.02 75.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -28.57 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.344 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.742 ' HB2' HG11 ' A' ' 530' ' ' VAL . 0.1 OUTLIER -84.65 -40.97 16.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 0.0 110.142 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -43.81 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.104 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.524 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.617 HG21 ' HD2' ' A' ' 522' ' ' LYS . 12.7 p -63.52 -22.97 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . 0.428 ' HA ' ' CB ' ' A' ' 523' ' ' ALA . 48.5 ttt180 -72.75 -24.07 60.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 5.1 mtp -87.73 -24.45 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.83 -41.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.675 0.274 . . . . 0.0 111.57 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.39 71.79 80.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.79 -23.07 74.37 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.193 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -64.47 -56.56 13.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.283 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.617 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -82.08 -29.28 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.467 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.55 -37.14 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.9 -32.32 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -75.87 -28.84 58.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.602 HD11 HG11 ' A' ' 515' ' ' VAL . 38.0 pt -84.59 -9.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.677 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.77 -44.96 6.99 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 66.5 m -72.85 -30.74 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.782 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -73.36 -45.63 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.391 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 1.008 HG13 HG22 ' A' ' 508' ' ' THR . 96.5 t -63.52 -33.98 64.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 0.0 110.136 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.429 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.0 mmt -61.15 -47.83 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.593 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 529' ' ' GLN . 11.9 t -64.57 -24.09 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.238 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.93 ' HB3' HG21 ' A' ' 508' ' ' THR . 1.0 OUTLIER -62.81 -38.62 91.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -64.94 -57.72 8.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.172 0.51 . . . . 0.0 109.816 179.013 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 532' ' ' THR . 10.2 ptm180 -61.07 -29.17 69.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.136 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -66.2 -38.2 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.051 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -55.93 -52.59 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.971 179.195 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.31 -46.44 41.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.81 -46.52 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.678 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -57.61 -40.26 78.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.661 ' HE1' HG13 ' A' ' 498' ' ' VAL . 14.7 ttm -53.21 -35.55 60.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.422 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -33.23 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -63.85 -36.73 84.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.583 ' OG ' HD21 ' A' ' 473' ' ' LEU . 10.2 t -65.65 -41.32 92.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.702 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.406 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 27.7 mt -61.89 -28.35 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 24.7 p -71.62 -39.97 70.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.075 0.465 . . . . 0.0 110.528 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 544' ' ' SER . 21.9 mt -63.21 -35.77 81.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.467 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -86.94 -31.74 20.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.774 179.34 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.904 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.3 m-85 -55.99 -22.83 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.09 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -47.2 -29.49 2.38 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.105 0.479 . . . . 0.0 109.91 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.8 t -104.58 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.792 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.35 -27.62 5.05 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.836 2.358 . . . . 0.0 112.506 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.9 -54.01 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 551' ' ' VAL . 92.5 t -75.0 -43.68 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.767 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.849 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.4 -37.85 50.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.763 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.97 -50.23 30.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.443 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.52 -44.74 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.541 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -70.37 -36.11 65.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.735 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -61.68 -43.98 97.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.817 0.342 . . . . 0.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.69 -48.38 81.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . 0.403 ' OE1' ' CD2' ' A' ' 491' ' ' PHE . 16.9 pt-20 -76.77 -38.07 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.515 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.8 t -62.43 -56.15 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.88 0.371 . . . . 0.0 110.651 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.37 -34.31 66.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.615 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.528 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 57.7 mt-10 -71.15 -23.73 62.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.323 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 495' ' ' LYS . 0.2 OUTLIER -79.29 -32.35 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.54 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.718 ' CD2' HG11 ' A' ' 498' ' ' VAL . 1.3 mt -86.54 -16.39 37.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.528 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 25.9 mt-30 -53.77 -46.33 70.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.951 0.405 . . . . 0.0 110.655 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -60.01 -51.73 68.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . 0.403 ' OE2' HD12 ' A' ' 565' ' ' LEU . 1.4 pt-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.577 ' HA ' HD12 ' A' ' 465' ' ' LEU . 8.2 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.996 0.427 . . . . 0.0 110.552 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.91 71.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.77 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.6 mmm -68.29 -39.08 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 462' ' ' GLU . 11.7 mt -62.49 -33.78 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -74.7 -34.97 62.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -55.59 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 7.1 ptm180 -58.37 -27.14 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -85.64 -40.19 16.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -54.9 22.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.654 HD12 HD22 ' A' ' 475' ' ' ASN . 1.8 pp -61.36 -35.83 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.274 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -63.45 -42.18 98.64 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.042 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.855 HD23 ' CD1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -69.25 -46.62 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.907 179.165 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -27.45 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.5 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.654 HD22 HD12 ' A' ' 471' ' ' LEU . 8.8 m-80 -70.9 -48.56 53.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.247 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -65.72 -30.46 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.578 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 16.6 mm -64.99 -34.32 69.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.5 m -62.86 -46.8 86.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.919 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -61.46 -29.72 70.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.1 mt -59.01 -46.52 88.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.377 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.809 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.7 mp0 -85.93 -10.88 54.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.48 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -28.39 -51.6 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 481' ' ' GLN . 52.7 t 43.27 97.49 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.886 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 8.1 Cg_exo -72.41 134.54 34.62 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.753 -1.353 . . . . 0.0 112.052 -0.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -80.76 153.89 20.05 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.256 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.76 ' O ' HG13 ' A' ' 490' ' ' VAL . 15.6 mtt180 -112.72 79.67 3.38 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.494 ' HA ' HG22 ' A' ' 490' ' ' VAL . 86.0 Cg_exo -45.87 -25.44 2.67 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.819 2.346 . . . . 0.0 112.985 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -27.18 22.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.72 0.295 . . . . 0.0 111.309 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.412 ' O ' ' CE ' ' A' ' 493' ' ' MET . 3.8 t-160 -86.53 -36.88 18.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.0 m -63.6 -39.22 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.627 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.515 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -57.37 -28.89 63.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.887 0.375 . . . . 0.0 110.168 179.476 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.45 -45.25 69.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.441 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -58.14 -36.37 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.482 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.5 mm? -58.64 -46.2 87.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 109.971 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.683 ' CD ' HD13 ' A' ' 565' ' ' LEU . 13.1 mtpt -49.48 -46.05 47.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.913 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -48.84 79.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.855 ' CD1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.91 -31.57 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 109.983 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 494' ' ' LEU . 86.8 t -73.02 -46.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.617 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -24.53 61.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.48 -41.85 60.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.407 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 1.8 mt-10 -60.08 -50.08 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -53.26 -40.71 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.459 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.752 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.644 ' HD3' HG21 ' A' ' 537' ' ' ILE . 22.4 mtm105 -58.42 -50.73 72.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 110.085 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -56.42 -26.75 54.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.602 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -32.98 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.379 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.521 ' CG2' HG13 ' A' ' 530' ' ' VAL . 91.0 m -63.53 -53.4 52.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.7 mp -57.7 -38.6 75.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.642 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.61 -44.76 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.688 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.759 ' O ' HG12 ' A' ' 515' ' ' VAL . 3.7 m-70 -59.19 -44.75 92.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.783 ' HD1' HG21 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -51.42 -46.5 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -78.17 -44.89 24.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.318 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . 0.517 ' HA ' ' HE3' ' A' ' 517' ' ' MET . 2.3 t-80 -60.7 -53.67 54.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.862 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 0.77 HG11 ' CD1' ' A' ' 526' ' ' ILE . 9.2 p -61.52 -29.01 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -68.37 -23.59 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . 0.517 ' HE3' ' HA ' ' A' ' 514' ' ' HIS . 1.0 OUTLIER -87.02 -48.45 8.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 110.452 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 519' ' ' ASP . 18.9 m -77.05 -46.02 29.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.392 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.9 t0 -129.15 79.36 74.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -46.93 29.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.607 2.205 . . . . 0.0 112.377 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -59.69 -53.3 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . 0.414 ' HA ' ' HG3' ' A' ' 525' ' ' GLN . 0.0 OUTLIER -58.96 -39.31 81.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 515' ' ' VAL . . . -54.79 -32.95 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.53 -31.16 53.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . 0.414 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 5.4 mt-30 -75.81 -23.88 55.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.77 ' CD1' HG11 ' A' ' 515' ' ' VAL . 38.9 pt -88.39 -6.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.748 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.451 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -40.88 -45.61 2.56 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.841 0.353 . . . . 0.0 111.449 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -32.27 40.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.776 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -70.12 -46.3 65.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.783 HG21 ' HD1' ' A' ' 512' ' ' PHE . 63.7 t -62.87 -35.18 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.273 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.588 ' HA ' HD12 ' A' ' 534' ' ' LEU . 11.2 mmt -63.26 -49.73 72.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.48 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.776 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.6 t -60.37 -25.31 65.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.051 0.453 . . . . 0.0 110.197 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.576 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -59.53 -49.24 78.53 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.3 179.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.5 OUTLIER -60.4 -44.32 95.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.105 0.479 . . . . 0.0 110.178 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -40.63 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 532' ' ' THR . 17.6 t -55.84 -39.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.715 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.644 HG21 ' HD3' ' A' ' 505' ' ' ARG . 0.9 OUTLIER -56.52 -56.47 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.83 -36.71 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.375 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.37 -53.96 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -57.74 -32.98 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.431 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.408 ' HA ' ' HH ' ' A' ' 497' ' ' TYR . 28.0 ttm -58.77 -35.35 72.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.169 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 545' ' ' LEU . 25.4 m-20 -71.32 -30.33 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.86 -35.33 80.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.743 ' HA ' HD12 ' A' ' 547' ' ' LEU . 32.8 t -68.1 -42.02 80.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 542' ' ' ASN . 16.7 mt -59.04 -31.74 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.59 -37.94 62.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.125 0.488 . . . . 0.0 110.363 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 544' ' ' SER . 17.5 mt -63.23 -35.69 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.322 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.92 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.56 -32.25 19.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.036 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.916 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.2 m-85 -55.77 -22.96 26.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.165 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . 0.41 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 89.6 m-20 -47.49 -29.0 2.44 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.095 0.474 . . . . 0.0 110.172 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.4 t -105.55 75.85 0.32 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.854 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 3.7 Cg_endo -46.96 -28.29 6.94 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 556' ' ' GLU . . . -69.38 -48.06 62.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 551' ' ' VAL . 88.4 t -83.36 -42.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.077 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.868 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.46 -36.38 43.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 17.6 pt-20 -74.4 -47.96 30.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.6 -46.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.46 . . . . 0.0 110.546 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.445 HG21 HG21 ' A' ' 490' ' ' VAL . 2.3 pp -67.34 -36.57 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.612 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.39 -37.93 79.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 111.138 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -54.72 30.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.81 -31.96 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.409 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.515 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.7 t -65.23 -57.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.361 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -51.21 -33.58 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.0 110.193 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 13.4 mt-10 -67.18 -27.23 67.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.092 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.683 HD13 ' CD ' ' A' ' 495' ' ' LYS . 0.5 OUTLIER -73.92 -36.55 64.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.587 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.3 mp -82.18 -15.51 52.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 5.0 mm-40 -52.4 -46.71 66.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.149 0.499 . . . . 0.0 110.476 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.81 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.984 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 121.007 0.432 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.82 73.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.558 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 17.0 mtp -71.93 -50.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.02 -34.43 63.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.445 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 470' ' ' ARG . 0.7 OUTLIER -59.22 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.267 179.396 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' ASP . . . . . 0.424 ' O ' HD23 ' A' ' 471' ' ' LEU . 3.2 t0 -53.95 -31.76 51.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -63.5 -35.79 81.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' A' ' 497' ' ' TYR . 30.4 ttm180 -80.21 -44.1 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.26 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 466' ' ' ASN . 4.0 mtt-85 -61.27 -53.67 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.362 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' LEU . . . . . 0.748 HD12 HD22 ' A' ' 475' ' ' ASN . 0.6 OUTLIER -60.48 -39.29 87.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.428 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -70.04 -35.82 74.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.39 . . . . 0.0 110.451 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.4 OUTLIER -74.89 -47.91 27.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.864 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.42 -26.78 68.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.555 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' ASN . . . . . 0.748 HD22 HD12 ' A' ' 471' ' ' LEU . 7.1 m-20 -70.15 -47.07 63.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' TYR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -69.07 -37.5 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.001 0.429 . . . . 0.0 109.934 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.623 HD13 HD12 ' A' ' 480' ' ' LEU . 20.0 mm -59.07 -33.51 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.305 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 87.4 m -61.4 -46.31 90.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.772 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -62.59 -29.27 70.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.216 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' LEU . . . . . 0.623 HD12 HD13 ' A' ' 477' ' ' ILE . 9.2 mt -61.08 -50.9 71.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.363 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' GLN . . . . . 0.817 ' O ' HG23 ' A' ' 483' ' ' VAL . 9.0 mp0 -87.15 -11.36 50.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -29.47 -51.38 0.11 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.0 t 46.99 95.36 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.47 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 59.7 Cg_endo -72.13 134.28 33.01 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.44 -1.483 . . . . 0.0 112.188 -0.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 89.3 Cg_endo -83.19 157.03 14.94 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.354 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.907 ' O ' HG13 ' A' ' 490' ' ' VAL . 6.3 mmt180 -114.65 79.88 5.94 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' PRO . . . . . 0.623 ' O ' HG22 ' A' ' 558' ' ' ILE . 72.7 Cg_exo -49.04 -26.19 10.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.561 2.174 . . . . 0.0 112.645 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -22.53 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' HIS . . . . . 0.41 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.1 t-160 -87.75 -36.08 17.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.907 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.6 m -63.93 -42.89 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.302 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' PHE . . . . . 0.723 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.42 -29.05 33.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.042 0.448 . . . . 0.0 110.224 179.339 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' ASN . . . . . 0.442 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 52.1 t30 -68.3 -52.63 31.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.365 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -54.33 -30.17 50.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.682 179.605 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.2 mm? -61.43 -52.63 63.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . 0.539 ' CB ' HD11 ' A' ' 565' ' ' LEU . 12.3 ptmt -57.81 -26.77 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.103 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 499' ' ' ARG . 0.0 OUTLIER -76.18 -43.53 42.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 109.898 179.203 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' TYR . . . . . 0.673 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -68.92 -31.08 69.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.08 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 494' ' ' LEU . 58.3 t -71.32 -53.08 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -54.71 -26.74 35.79 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.438 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.442 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' ' HE2' ' A' ' 541' ' ' MET . 0.9 OUTLIER -59.08 -49.41 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.42 179.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -54.73 -37.34 65.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -63.04 -35.45 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -68.94 -40.32 79.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.599 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.3 ttm-85 -57.62 -44.8 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.96 -27.93 67.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.616 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -31.91 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.456 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' THR . . . . . 0.721 HG21 ' HB3' ' A' ' 533' ' ' HIS . 88.3 m -69.76 -36.45 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -63.87 -40.5 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.208 179.595 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -57.09 -46.21 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.73 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.829 ' O ' HG12 ' A' ' 515' ' ' VAL . 61.9 m80 -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.66 -51.58 47.76 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.221 0.534 . . . . 0.0 110.544 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.32 -34.52 48.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.183 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -58.17 6.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.688 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' VAL . . . . . 1.064 HG11 HD11 ' A' ' 526' ' ' ILE . 12.3 p -61.17 -26.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.44 -23.06 58.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 60.7 mtm -88.03 -20.0 26.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.578 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 519' ' ' ASP . 15.5 m -114.78 -45.49 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.185 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' ASP . . . . . 0.448 ' N ' HG23 ' A' ' 518' ' ' VAL . 0.4 OUTLIER -121.41 77.41 35.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.05 -53.25 5.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 112.234 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -60.07 -53.04 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -39.02 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.786 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' ALA . . . . . 0.521 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -53.93 -32.13 52.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' ALA . . . . . 0.462 ' HB3' HE21 ' A' ' 525' ' ' GLN . . . -76.55 -32.49 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . 0.462 HE21 ' HB3' ' A' ' 524' ' ' ALA . 17.3 mm-40 -73.99 -24.83 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 1.064 HD11 HG11 ' A' ' 515' ' ' VAL . 34.0 pt -91.25 -18.24 7.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.679 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' ARG . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 3.5 mtp-105 -41.1 -53.61 3.02 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.722 0.296 . . . . 0.0 111.662 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -57.34 -36.73 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' GLN . . . . . 0.635 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -75.97 -43.52 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.309 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 526' ' ' ILE . 21.7 t -60.28 -32.52 51.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.357 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' MET . . . . . 0.595 ' HA ' HD12 ' A' ' 534' ' ' LEU . 33.5 mmt -66.03 -56.72 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.0 t -55.34 -26.99 44.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.199 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' HIS . . . . . 0.721 ' HB3' HG21 ' A' ' 508' ' ' THR . 1.4 t60 -58.51 -50.44 73.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.399 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.18 -41.63 97.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.159 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -60.95 -42.71 98.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.181 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 532' ' ' THR . 48.1 t -55.25 -38.38 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.726 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.17 -54.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.504 179.533 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.8 -42.21 50.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.77 -50.24 74.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' ARG . . . . . 0.515 ' CG ' HG13 ' A' ' 536' ' ' VAL . 20.1 mmm180 -58.38 -34.83 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' MET . . . . . 0.41 ' HE2' ' HG3' ' A' ' 501' ' ' GLU . 25.0 ttm -57.15 -35.83 70.0 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.141 0.496 . . . . 0.0 110.158 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -70.01 -31.85 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.502 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 547' ' ' LEU . 9.6 t -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.409 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 19.3 mt -63.91 -28.05 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 4.7 m -77.02 -36.25 56.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.138 0.494 . . . . 0.0 110.102 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.5 mt -61.54 -35.04 76.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.429 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.68 -31.14 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.857 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' TYR . . . . . 0.923 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.6 m-85 -54.41 -24.12 18.61 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 50.3 m-80 -47.3 -28.94 2.19 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.42 76.71 0.28 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.723 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 4.0 Cg_endo -47.27 -29.29 9.23 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.722 2.281 . . . . 0.0 112.532 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -50.4 46.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 99.2 t -79.77 -44.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.646 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . 0.827 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.04 -33.88 19.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.454 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.93 -50.83 25.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.86 -46.28 90.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 487' ' ' PRO . 2.5 pp -68.34 -36.39 74.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.601 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -59.13 -39.61 82.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.775 0.321 . . . . 0.0 111.124 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -54.9 32.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.87 -29.35 64.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 558' ' ' ILE . 16.0 t -71.25 -47.69 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.47 -29.62 69.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.608 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mm-40 -79.88 -24.07 41.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' LEU . . . . . 0.723 HD22 ' CE1' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -82.08 -36.22 27.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.9 mt -86.79 -23.35 25.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.8 OUTLIER -66.53 -59.37 3.7 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.8 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.3 65.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.969 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.699 0.285 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 507' ' ' HIS . 99.3 t -72.76 -45.81 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 465' ' ' LEU . 11.0 mt-10 -51.82 -43.3 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.955 0.407 . . . . 0.0 110.428 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -66.52 -32.51 73.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.59 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 3.3 mmm -66.66 -41.7 87.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.663 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 462' ' ' GLU . 1.5 mt -66.15 -34.31 77.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.675 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -65.03 -36.96 86.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.807 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -61.06 -53.13 61.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.816 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.404 ' HA ' HD21 ' A' ' 471' ' ' LEU . 15.5 mtp180 -55.0 -34.36 63.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 67.2 ttp85 -81.18 -38.68 26.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.55 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -62.62 1.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.271 0.558 . . . . 0.0 110.137 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.651 HD12 HD22 ' A' ' 475' ' ' ASN . 2.2 pp -53.35 -37.1 62.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.834 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -63.93 -38.72 92.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.062 0.458 . . . . 0.0 110.255 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.494 HD23 ' CE2' ' A' ' 497' ' ' TYR . 1.1 tm? -72.44 -50.53 25.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.643 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -27.42 68.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.483 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.651 HD22 HD12 ' A' ' 471' ' ' LEU . 8.6 m-20 -69.97 -48.88 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.621 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.49 -34.43 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.978 0.418 . . . . 0.0 110.255 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.691 HD13 HD12 ' A' ' 480' ' ' LEU . 17.7 mm -60.51 -33.95 56.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.348 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -59.03 -46.36 88.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.956 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.699 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.4 -30.29 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.18 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.4 mt -60.16 -42.99 96.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.349 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.705 ' O ' HG23 ' A' ' 483' ' ' VAL . 77.2 mm-40 -83.85 -13.3 54.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.512 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -36.11 -52.78 0.78 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.1 t 51.56 94.73 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.341 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.31 133.63 32.23 Favored 'Cis proline' 0 C--N 1.348 0.51 0 C-N-CA 123.475 -1.469 . . . . 0.0 112.235 -0.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -78.95 150.39 23.43 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.354 2.036 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.828 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.3 OUTLIER -99.1 86.49 0.53 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.529 ' HA ' HG22 ' A' ' 490' ' ' VAL . 9.8 Cg_endo -51.96 -22.0 13.4 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.411 2.074 . . . . 0.0 112.256 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -27.83 23.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.277 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.429 ' O ' ' CE ' ' A' ' 493' ' ' MET . 13.7 t-160 -86.37 -36.56 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.828 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.8 m -65.58 -35.95 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.709 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.829 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -66.58 -25.92 66.86 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.124 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.414 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 6.8 t30 -66.06 -59.44 3.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.653 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.429 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.11 -31.04 17.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 110.606 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.823 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.7 mm? -61.02 -51.43 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.464 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 6.4 ptmt -59.26 -28.3 66.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.713 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.464 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 1.8 mmmt -77.75 -47.72 18.34 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.494 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -61.24 -36.96 81.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.833 179.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 494' ' ' LEU . 93.3 t -63.86 -51.02 74.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.637 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -25.79 41.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.639 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.53 -48.14 35.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.857 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 498' ' ' VAL . 1.2 pt-20 -60.27 -28.37 68.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 7.5 mt-30 -65.89 -48.24 72.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.456 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -59.66 -33.24 71.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.493 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.11 -46.5 80.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.506 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.694 ' HA ' HD13 ' A' ' 537' ' ' ILE . 6.1 ttm180 -57.53 -50.02 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.471 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -62.8 -29.99 71.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.481 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . 0.554 ' CE1' HG11 ' A' ' 461' ' ' VAL . 1.3 t-80 -68.29 -32.96 73.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.432 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.435 HG21 ' HG ' ' A' ' 534' ' ' LEU . 33.5 m -64.1 -44.2 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 509' ' ' LEU . 9.1 mp -54.86 -45.16 74.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.631 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -60.71 -36.97 80.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -35.41 78.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.666 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.534 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -57.09 -51.73 68.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.73 -32.79 58.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.373 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . 0.453 ' O ' HG22 ' A' ' 518' ' ' VAL . 47.4 t-80 -61.77 -55.64 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.672 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 526' ' ' ILE . 8.6 p -63.06 -28.86 45.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . 0.404 ' HA ' ' CB ' ' A' ' 523' ' ' ALA . 10.5 ttt180 -69.46 -23.29 63.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.044 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . 0.428 ' HG2' HG13 ' A' ' 518' ' ' VAL . 0.4 OUTLIER -88.64 -47.59 8.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.082 0.468 . . . . 0.0 110.546 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 519' ' ' ASP . 23.4 m -79.4 -46.77 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.8 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 6.4 m-20 -127.29 74.29 77.37 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.263 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -62.1 -32.7 83.49 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.681 2.254 . . . . 0.0 112.546 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -56.97 11.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.067 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.59 -27.4 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.77 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -51.04 -41.76 60.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.738 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.71 -30.21 64.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.928 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -78.61 -33.16 47.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.005 HD11 HG11 ' A' ' 515' ' ' VAL . 1.4 pt -83.64 -12.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.69 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.534 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 8.2 mtp85 -42.61 -48.59 5.46 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 0.0 111.342 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.1 m -58.88 -32.66 69.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.813 ' O ' HG22 ' A' ' 532' ' ' THR . 0.8 OUTLIER -75.13 -47.48 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.293 179.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.628 ' CG2' HD12 ' A' ' 526' ' ' ILE . 60.3 t -61.24 -32.77 53.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.231 0.539 . . . . 0.0 109.969 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.668 ' HA ' HD12 ' A' ' 534' ' ' LEU . 0.4 OUTLIER -62.77 -53.98 46.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.476 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.3 t -55.34 -26.93 43.85 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.41 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.487 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -59.83 -49.59 77.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.124 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.58 -46.08 91.38 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 110.095 179.139 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -61.62 -40.12 93.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.062 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 532' ' ' THR . 24.6 t -57.83 -36.42 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.562 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.694 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.5 OUTLIER -57.94 -54.68 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.426 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . 0.415 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -76.69 -40.21 49.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.989 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.25 -49.73 76.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.476 ' CG ' HG13 ' A' ' 536' ' ' VAL . 18.7 mmt85 -58.6 -36.05 73.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.324 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.716 ' HE2' HG22 ' A' ' 498' ' ' VAL . 4.0 ttm -56.47 -35.0 67.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.299 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -70.49 -32.88 70.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.498 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -66.45 -41.96 88.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.631 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 m -60.43 -39.14 86.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.749 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 79.4 mt -61.48 -35.37 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.799 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.419 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 t -65.74 -36.97 85.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.766 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.4 mt -62.0 -44.97 95.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.528 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.934 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -79.93 -32.05 40.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.897 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.921 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.4 m-85 -54.28 -24.17 17.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.062 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -47.24 -29.12 2.21 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-O 121.07 0.462 . . . . 0.0 110.044 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.9 t -104.67 78.05 0.35 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.866 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -45.97 -29.82 6.5 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.762 2.308 . . . . 0.0 112.422 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 556' ' ' GLU . . . -69.99 -54.06 14.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.495 ' H ' HG12 ' A' ' 551' ' ' VAL . 78.2 t -75.06 -41.89 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.835 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.93 -34.61 56.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.998 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 553' ' ' ALA . 0.0 OUTLIER -80.56 -33.09 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.36 -42.99 58.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.103 0.478 . . . . 0.0 110.313 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -72.06 -36.85 58.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.502 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.429 ' N ' HD12 ' A' ' 558' ' ' ILE . 8.4 mm-40 -61.52 -41.55 97.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.684 0.278 . . . . 0.0 111.249 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -48.51 80.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -77.12 -34.12 56.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.602 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.908 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.6 t -63.54 -54.54 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 110.946 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.3 t0 -59.43 -35.3 73.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.937 0.399 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.517 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.9 mt-10 -72.79 -25.01 61.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.329 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.908 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -78.85 -31.78 45.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.568 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.68 -16.72 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.517 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.6 mt-30 -52.53 -44.92 66.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.975 0.417 . . . . 0.0 110.604 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -60.7 -30.27 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.918 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 13.0 mtt85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.11 -41.28 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.424 ' HA ' HD12 ' A' ' 465' ' ' LEU . 0.9 OUTLIER -52.81 -49.22 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 110.509 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.44 69.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 13.1 mmm -66.17 -42.96 88.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.757 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 507' ' ' HIS . 12.7 mt -60.83 -34.5 74.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -74.86 -38.22 62.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -62.11 -52.88 62.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.0 ptm85 -56.73 -34.2 67.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.711 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -79.83 -42.45 24.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.615 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.4 -61.18 2.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.236 0.541 . . . . 0.0 110.275 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.686 HD12 HD22 ' A' ' 475' ' ' ASN . 1.4 pp -53.58 -36.96 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.953 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -66.22 -39.27 89.49 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.01 0.433 . . . . 0.0 110.344 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 473' ' ' LEU . 1.1 tm? -74.64 -44.77 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -66.37 -24.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.503 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.686 HD22 HD12 ' A' ' 471' ' ' LEU . 6.2 m-20 -71.74 -47.56 52.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.533 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -66.11 -38.12 87.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 109.971 179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 480' ' ' LEU . 17.3 mm -57.52 -33.66 44.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.347 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.0 m -60.37 -46.32 90.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.991 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.776 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -63.25 -30.54 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.271 179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.6 mt -59.05 -42.54 90.52 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.292 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.649 ' O ' HG23 ' A' ' 483' ' ' VAL . 76.3 mm-40 -90.89 -13.33 33.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.511 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -34.16 -56.88 0.49 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.9 t 50.41 96.58 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.452 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.23 134.39 30.2 Favored 'Cis proline' 0 C--N 1.349 0.56 0 C-N-CA 123.659 -1.392 . . . . 0.0 112.076 -0.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 98.4 Cg_endo -85.4 148.52 10.15 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.516 2.144 . . . . 0.0 112.341 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.918 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.6 mmm180 -102.47 82.27 0.43 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.43 ' O ' HG22 ' A' ' 558' ' ' ILE . 8.8 Cg_endo -50.36 -23.48 10.31 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.618 2.212 . . . . 0.0 112.308 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.66 -26.83 22.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -86.06 -36.73 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.7 m -63.23 -39.75 86.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.465 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.725 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -62.88 -24.69 67.94 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.349 179.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 49.4 t30 -66.98 -57.99 5.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.436 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -50.65 -30.93 14.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.844 0.354 . . . . 0.0 110.772 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.823 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.6 mm? -62.05 -51.53 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.705 ' CB ' HD11 ' A' ' 565' ' ' LEU . 7.9 ptmt -58.76 -29.46 66.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.043 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -77.88 -42.67 32.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.102 179.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.42 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.27 -34.1 76.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.231 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 494' ' ' LEU . 95.3 t -65.62 -50.07 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.478 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -27.14 46.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.3 79.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.518 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.02 -45.87 90.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.309 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.703 HE21 HG12 ' A' ' 498' ' ' VAL . 51.8 mt-30 -53.41 -37.36 62.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.7 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -68.1 -32.58 72.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -67.28 -42.32 83.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.651 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.609 ' HG2' HD23 ' A' ' 534' ' ' LEU . 0.0 OUTLIER -60.24 -42.82 96.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.363 179.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.15 -29.0 70.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.443 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . 0.424 ' CD2' HD11 ' A' ' 465' ' ' LEU . 10.0 m80 -72.93 -32.19 65.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.497 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.471 HG23 HG13 ' A' ' 530' ' ' VAL . 52.9 m -66.44 -33.12 75.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.495 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -69.27 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.347 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -61.69 -39.37 91.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.836 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.3 OUTLIER -61.34 -49.35 77.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.746 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.716 ' HD1' HG21 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -52.5 -42.78 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.027 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -74.85 -44.03 51.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.07 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -61.57 -54.96 36.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.923 HG11 ' CD1' ' A' ' 526' ' ' ILE . 13.2 p -62.08 -22.52 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.254 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -78.04 -23.41 48.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 22.0 mtm -88.11 -19.73 26.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.291 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 519' ' ' ASP . 16.7 m -113.58 -45.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.33 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 518' ' ' VAL . 29.4 m-20 -121.78 78.89 39.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.07 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.38 -52.03 6.34 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.578 2.186 . . . . 0.0 112.314 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -58.7 -52.22 66.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.788 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -38.35 82.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.745 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.499 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.22 -31.27 61.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.026 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.58 -29.56 59.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.433 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 526' ' ' ILE . 0.0 OUTLIER -73.66 -38.55 64.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.186 179.535 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.923 ' CD1' HG11 ' A' ' 515' ' ' VAL . 48.4 pt -74.7 -10.18 13.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.779 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.14 -44.77 2.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 111.704 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 14.3 m -78.01 -30.83 50.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.181 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 532' ' ' THR . 1.3 tt0 -74.62 -46.71 36.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.454 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.716 HG21 ' HD1' ' A' ' 512' ' ' PHE . 47.3 t -65.59 -34.21 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.037 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.638 ' HA ' HD12 ' A' ' 534' ' ' LEU . 10.1 mmt -66.93 -51.25 57.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.488 179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 536' ' ' VAL . 14.7 t -58.7 -26.94 64.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.906 0.384 . . . . 0.0 110.139 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.496 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -58.84 -50.71 72.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -60.2 -45.95 91.4 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.06 0.457 . . . . 0.0 110.339 179.366 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 531' ' ' MET . 9.1 mtp85 -61.14 -39.91 91.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.086 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 532' ' ' THR . 40.6 t -56.12 -40.0 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.593 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.52 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.7 OUTLIER -55.94 -54.11 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -76.1 -40.84 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.294 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.73 -54.29 47.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.638 ' HG3' HG13 ' A' ' 536' ' ' VAL . 36.9 mtp180 -56.02 -35.88 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.57 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.692 ' HE2' HG22 ' A' ' 498' ' ' VAL . 22.0 ttm -56.47 -35.69 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.204 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -69.21 -32.63 72.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.388 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -62.78 -38.45 90.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.56 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 547' ' ' LEU . 7.2 m -63.54 -43.08 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.623 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 46.2 mt -56.72 -33.84 66.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -68.42 -36.55 79.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.96 0.41 . . . . 0.0 110.645 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.9 mt -62.1 -40.36 95.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.623 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -84.97 -31.31 23.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.866 179.526 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.914 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.5 m-85 -55.19 -23.53 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.144 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -47.73 -28.89 2.69 Favored 'General case' 0 C--O 1.23 0.074 0 CA-C-O 121.112 0.482 . . . . 0.0 110.009 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.3 t -105.13 77.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.872 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -45.83 -29.41 5.72 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.868 2.378 . . . . 0.0 112.526 -179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.18 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.455 ' H ' HG12 ' A' ' 551' ' ' VAL . 84.2 t -74.85 -42.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.846 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.41 -35.79 40.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.547 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -73.15 -51.01 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.44 -46.53 88.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.6 pp -68.67 -37.47 77.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.557 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.466 ' N ' HD12 ' A' ' 558' ' ' ILE . 7.6 mm-40 -60.22 -35.3 75.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -66.28 -52.06 51.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -74.73 -30.85 61.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.599 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.4 t -64.09 -57.63 10.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.728 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -56.2 -34.35 66.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.489 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 38.2 mt-10 -71.91 -23.72 61.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 491' ' ' PHE . 0.1 OUTLIER -80.1 -32.48 39.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.464 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.451 ' HG ' ' HG ' ' A' ' 565' ' ' LEU . 2.2 mt -86.57 -15.81 38.77 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.489 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 21.0 mt-30 -51.64 -44.68 63.06 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.05 0.452 . . . . 0.0 110.508 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -67.32 -32.26 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.85 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.879 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.755 0.312 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.01 -42.7 83.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -51.98 -44.35 63.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.014 0.435 . . . . 0.0 110.473 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.12 71.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.617 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.2 mtp -64.76 -48.09 75.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.679 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 10.0 mt -58.89 -33.26 70.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.478 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.85 -52.13 58.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.657 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -55.41 -42.04 73.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.807 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 16.8 mtt-85 -59.42 -29.89 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.667 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -83.06 -42.17 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -61.73 -60.49 3.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.199 0.523 . . . . 0.0 109.875 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.723 HD12 HD22 ' A' ' 475' ' ' ASN . 1.3 pp -56.28 -36.3 68.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.613 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -67.35 -42.14 84.01 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.417 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -69.55 -47.14 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 179.27 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.14 -27.58 69.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.329 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.723 HD22 HD12 ' A' ' 471' ' ' LEU . 6.6 m-20 -69.81 -48.97 57.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -64.68 -35.62 81.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.853 0.358 . . . . 0.0 110.25 179.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.601 HD13 HD12 ' A' ' 480' ' ' LEU . 15.9 mm -60.21 -33.56 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.8 m -58.28 -47.01 84.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.069 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.596 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -63.08 -32.79 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.202 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 548' ' ' LEU . 8.7 mt -58.73 -42.46 88.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.203 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.794 ' O ' HG23 ' A' ' 483' ' ' VAL . 82.2 mm-40 -87.86 -11.98 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.245 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -29.85 -53.47 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 481' ' ' GLN . 52.2 t 46.17 96.37 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.627 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.18 135.19 38.73 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.446 -1.481 . . . . 0.0 112.222 -0.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.9 153.18 19.39 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.502 2.135 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.783 ' O ' HG13 ' A' ' 490' ' ' VAL . 17.3 mtt85 -112.68 80.56 3.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.437 ' HA ' HG22 ' A' ' 490' ' ' VAL . 88.5 Cg_exo -46.35 -25.6 3.35 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.703 2.269 . . . . 0.0 112.801 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -25.79 23.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.407 ' O ' ' CE ' ' A' ' 493' ' ' MET . 6.5 t-160 -87.3 -35.5 18.41 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.8 m -64.2 -40.52 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.735 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -53.47 -29.61 36.77 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.003 0.43 . . . . 0.0 110.163 179.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 1.2 t30 -70.89 -46.38 62.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.336 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.488 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -57.73 -35.22 70.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.604 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.8 mm? -60.72 -45.76 93.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.127 0.489 . . . . 0.0 109.992 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.64 ' CD ' HD13 ' A' ' 565' ' ' LEU . 9.0 mtpt -48.7 -44.73 38.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.888 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -51.36 69.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.681 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -65.19 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 109.959 179.744 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 494' ' ' LEU . 69.3 t -70.79 -48.14 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.518 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -24.02 61.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.52 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -72.04 -42.1 66.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.432 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.46 -47.18 77.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.219 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -54.97 -41.26 70.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.542 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -64.22 -32.9 74.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.346 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -69.76 -42.13 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.507 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.619 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -58.34 -43.1 88.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.434 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -69.99 -28.5 65.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -72.23 -35.49 68.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.225 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.53 HG23 HG13 ' A' ' 530' ' ' VAL . 96.8 m -63.0 -38.08 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.226 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -59.18 -51.89 68.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.764 179.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -52.64 -38.48 60.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.145 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.667 ' O ' HG12 ' A' ' 515' ' ' VAL . 4.6 m80 -62.31 -38.38 89.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -61.86 -55.28 31.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -70.99 -37.65 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.337 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . 0.409 ' O ' HG22 ' A' ' 518' ' ' VAL . 26.4 t60 -62.87 -56.01 21.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.052 HG11 HD11 ' A' ' 526' ' ' ILE . 7.6 p -60.56 -22.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 -74.71 -26.33 59.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 74.0 mtm -89.63 -15.29 33.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 519' ' ' ASP . 17.9 m -116.16 -47.1 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.698 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.468 ' N ' HG23 ' A' ' 518' ' ' VAL . 6.7 t0 -127.88 73.66 78.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.28 -34.22 93.93 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.613 2.209 . . . . 0.0 112.203 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -62.73 -55.82 23.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -71.29 -28.66 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.593 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.406 ' O ' HG12 ' A' ' 526' ' ' ILE . . . -54.36 -36.06 63.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.76 -29.35 63.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.682 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -75.58 -33.91 60.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.052 HD11 HG11 ' A' ' 515' ' ' VAL . 35.5 pt -79.1 -14.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.709 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.519 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -40.92 -47.85 3.04 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 33.4 m -74.71 -34.33 62.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.241 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.878 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -72.16 -49.23 37.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.679 -179.625 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.53 HG13 HG23 ' A' ' 508' ' ' THR . 41.2 t -60.84 -31.69 50.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.511 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.681 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.4 mmt -62.45 -44.5 96.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 529' ' ' GLN . 7.6 t -65.51 -26.43 67.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.379 . . . . 0.0 110.626 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.869 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -63.98 -40.17 95.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.394 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.88 -52.12 32.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.364 179.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 15.9 ptt180 -64.81 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -64.43 -35.38 74.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.869 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -59.29 -54.13 38.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.136 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . 0.407 ' N ' HG22 ' A' ' 537' ' ' ILE . 1.4 t80 -72.62 -43.64 63.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.31 -52.77 63.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.941 0.401 . . . . 0.0 110.636 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -32.51 65.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.339 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.414 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 21.5 ttm -58.67 -35.29 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.329 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -70.24 -31.78 69.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.314 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -63.96 -34.4 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.819 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.696 ' HA ' HD12 ' A' ' 547' ' ' LEU . 4.1 t -68.67 -42.53 77.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 44.7 mt -58.17 -36.43 73.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 1.2 m -68.2 -37.75 81.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.97 0.414 . . . . 0.0 110.7 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.8 mt -62.69 -37.64 87.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.46 -31.34 20.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.992 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.915 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.9 m-85 -56.64 -22.52 34.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.179 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -47.47 -29.21 2.56 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.7 t -104.31 78.64 0.35 Allowed Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.008 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.59 -30.82 9.28 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.693 2.262 . . . . 0.0 112.393 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.67 -54.17 17.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 551' ' ' VAL . 89.7 t -74.94 -45.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.769 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.774 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -49.83 -31.47 11.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.337 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -74.26 -52.09 13.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.33 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.89 -46.48 90.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.958 0.408 . . . . 0.0 110.455 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.492 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -66.14 -38.33 81.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.428 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.492 ' N ' HD12 ' A' ' 558' ' ' ILE . 28.1 mm-40 -59.09 -34.89 72.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.34 . . . . 0.0 110.935 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -63.67 -55.92 19.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -74.26 -31.88 62.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.492 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.922 ' HA ' HD23 ' A' ' 565' ' ' LEU . 4.4 t -65.77 -59.8 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 19.6 t0 -49.86 -34.84 21.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.369 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.538 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 2.0 mt-10 -71.2 -26.21 62.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.286 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.922 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.5 OUTLIER -76.59 -32.59 58.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.799 -179.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.3 mp -86.56 -16.57 36.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.538 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 10.8 mt-30 -54.64 -48.22 72.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.121 0.486 . . . . 0.0 110.62 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -74.49 -29.37 61.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.946 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.79 0.329 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.1 -43.2 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.185 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.653 ' HA ' HD12 ' A' ' 465' ' ' LEU . 5.3 mt-10 -52.55 -44.39 65.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.962 0.411 . . . . 0.0 110.544 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.683 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.2 mmm -66.58 -47.22 73.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.603 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.653 HD12 ' HA ' ' A' ' 462' ' ' GLU . 2.5 mt -60.19 -30.73 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.603 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -68.28 -51.62 42.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -45.54 90.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 29.6 mtp180 -58.77 -29.28 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.81 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -84.6 -44.84 13.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -51.1 67.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.108 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.723 HD12 HD22 ' A' ' 475' ' ' ASN . 1.5 pp -63.18 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.161 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -64.16 -43.6 94.66 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 121.152 0.501 . . . . 0.0 109.805 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -65.95 -53.41 39.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.692 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -26.71 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.535 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.723 HD22 HD12 ' A' ' 471' ' ' LEU . 6.0 m-20 -70.59 -50.14 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.443 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.455 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -68.42 -30.1 68.92 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.619 HD13 HD12 ' A' ' 480' ' ' LEU . 18.1 mm -64.54 -33.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 81.8 m -63.33 -46.2 87.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.831 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.541 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -62.95 -27.63 69.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.739 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.9 mt -60.29 -44.7 95.13 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.278 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.791 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.7 mp0 -89.8 -11.86 40.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.477 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -28.53 -54.0 0.11 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.7 t 45.54 97.27 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.808 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 12.1 Cg_exo -70.61 131.78 21.36 Favored 'Cis proline' 0 C--N 1.347 0.495 0 C-N-CA 123.714 -1.369 . . . . 0.0 111.989 -0.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.449 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 3.4 Cg_exo -79.45 159.34 25.77 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.474 2.116 . . . . 0.0 112.043 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.834 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.7 mtp85 -116.54 76.65 7.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 490' ' ' VAL . 77.5 Cg_exo -48.11 -25.0 6.13 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.578 2.186 . . . . 0.0 112.603 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -26.26 23.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.219 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -87.28 -35.62 18.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.834 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.3 m -64.23 -39.36 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.511 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -30.23 60.81 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.942 0.401 . . . . 0.0 110.112 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -68.55 -47.39 66.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.315 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.429 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.83 -39.99 72.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.721 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.1 mm? -56.27 -47.38 78.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.95 0.405 . . . . 0.0 110.442 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.577 ' CD ' HD13 ' A' ' 565' ' ' LEU . 11.0 mtpt -49.04 -46.17 43.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.737 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -52.7 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.436 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.672 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -60.54 -32.62 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.167 179.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 494' ' ' LEU . 89.1 t -73.59 -52.07 22.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.65 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -23.77 55.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.91 -40.39 63.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.659 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.406 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 0.9 OUTLIER -62.53 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.507 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.45 ' NE2' HG12 ' A' ' 498' ' ' VAL . 6.9 mt-30 -55.86 -42.64 76.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.48 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -60.59 -43.26 97.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.496 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.69 -41.58 83.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.309 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.514 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.6 ttt180 -58.68 -44.16 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.476 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -60.85 -27.74 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.705 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -33.86 65.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.563 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.757 HG21 ' HB2' ' A' ' 534' ' ' LEU . 11.2 m -59.09 -53.17 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.351 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 1.1 mm? -55.23 -50.8 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 514' ' ' HIS . 8.4 mtpp -60.48 -45.15 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.834 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.595 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.3 OUTLIER -53.26 -34.55 57.69 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.545 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.3 OUTLIER -70.91 -56.61 5.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.068 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.29 -36.62 84.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.782 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 518' ' ' VAL . 0.9 OUTLIER -63.88 -58.04 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.722 0.296 . . . . 0.0 110.795 -179.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.032 HG11 HD11 ' A' ' 526' ' ' ILE . 7.7 p -65.18 -23.59 33.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 5.9 ttp85 -77.97 -23.63 48.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.791 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 19.8 mtm -89.5 -16.0 31.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.199 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.487 HG23 ' N ' ' A' ' 519' ' ' ASP . 22.8 m -115.48 -46.0 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 111.32 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.4 m-20 -125.51 72.74 67.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.97 -31.99 84.35 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.624 2.216 . . . . 0.0 112.177 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -55.68 21.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.965 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.593 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.82 -27.77 50.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -53.81 -38.44 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.96 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -72.53 -28.96 63.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.843 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.0 -32.46 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.032 HD11 HG11 ' A' ' 515' ' ' VAL . 32.1 pt -81.71 -10.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.712 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.545 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.14 -51.49 3.43 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.621 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -36.56 76.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 532' ' ' THR . 1.7 tt0 -74.28 -51.86 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.324 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 48.7 t -63.28 -31.76 53.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.124 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.462 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 1.2 mmt -68.37 -49.55 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.461 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 536' ' ' VAL . 1.0 OUTLIER -57.15 -32.58 66.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.69 ' O ' HD12 ' A' ' 537' ' ' ILE . 10.8 t60 -64.69 -38.95 92.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.489 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.757 ' HB2' HG21 ' A' ' 508' ' ' THR . 3.1 tm? -67.01 -48.17 69.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.59 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 531' ' ' MET . 27.7 mtp180 -63.48 -36.16 82.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.978 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 532' ' ' THR . 35.5 t -59.92 -35.93 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.471 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -59.16 -55.34 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.316 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . 0.418 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.89 -39.05 57.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.255 -179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.16 -54.2 47.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.464 ' CG ' HG13 ' A' ' 536' ' ' VAL . 0.9 OUTLIER -56.45 -36.15 68.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 36.3 ttm -57.57 -34.22 68.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.482 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -72.85 -30.18 63.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.55 -33.98 75.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.922 ' HA ' HD12 ' A' ' 547' ' ' LEU . 98.3 p -67.1 -42.97 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.744 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.445 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 67.1 mt -56.65 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.025 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 4.0 m -67.71 -34.23 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.09 0.472 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.922 HD12 ' HA ' ' A' ' 544' ' ' SER . 20.5 mt -63.72 -38.6 91.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.935 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.43 -32.59 19.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.034 179.667 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.935 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.6 m-85 -56.22 -22.23 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.318 179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -47.74 -28.88 2.7 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.02 0.438 . . . . 0.0 110.265 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.2 t -105.32 77.9 0.39 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.099 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -47.66 -26.83 7.11 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.774 2.316 . . . . 0.0 112.49 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -72.14 -49.3 37.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.0 0.429 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.58 -43.52 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.871 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.52 -39.51 57.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.728 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.405 ' HG3' ' HG2' ' A' ' 557' ' ' GLU . 13.0 pt-20 -72.42 -42.86 64.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.421 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.405 ' HG2' ' HG3' ' A' ' 556' ' ' GLU . 1.2 mm-40 -67.11 -49.02 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.247 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.467 HG21 HG21 ' A' ' 490' ' ' VAL . 2.2 pp -66.21 -35.53 75.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.398 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -62.29 -36.88 83.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.82 -53.43 57.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.684 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -74.54 -38.05 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.902 ' HA ' HD23 ' A' ' 565' ' ' LEU . 7.8 t -64.54 -57.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.405 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -54.7 -28.05 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.39 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 28.2 mt-10 -77.73 -23.56 49.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.053 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.902 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -78.96 -35.42 43.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.578 -179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.4 mp -86.93 -18.35 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.5 pt20 -58.96 -53.14 61.77 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.728 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.95 -26.05 21.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.566 179.782 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.845 0.355 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.34 -43.97 91.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 465' ' ' LEU . 1.1 pt-20 -51.57 -44.45 62.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.473 . . . . 0.0 110.709 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.18 72.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.85 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 8.9 mmm -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.764 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.773 HD13 ' OD1' ' A' ' 504' ' ' ASP . 5.6 mt -65.05 -38.46 90.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.729 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.08 -39.15 93.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.699 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -50.32 70.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.675 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -57.76 -28.97 64.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.708 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -87.04 -39.07 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.755 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -48.41 71.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.259 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.659 HD12 HD22 ' A' ' 475' ' ' ASN . 2.0 pp -65.24 -40.54 94.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.559 ' HB1' ' HB2' ' A' ' 497' ' ' TYR . . . -63.93 -38.42 91.01 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.175 0.512 . . . . 0.0 109.83 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.678 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.7 OUTLIER -71.73 -53.08 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.418 178.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -61.32 -23.85 66.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.707 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.659 HD22 HD12 ' A' ' 471' ' ' LEU . 9.2 m-20 -73.88 -48.37 31.49 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.339 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.538 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.3 OUTLIER -69.79 -28.91 66.13 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.36 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.825 HD13 HD12 ' A' ' 480' ' ' LEU . 16.5 mm -65.04 -33.89 66.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.188 178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 96.8 m -58.12 -46.82 84.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.987 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.456 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.5 -31.81 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.194 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.5 mt -59.78 -42.04 92.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.302 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.619 ' O ' HG23 ' A' ' 483' ' ' VAL . 85.2 mm-40 -83.12 -13.48 55.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.514 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -34.91 -54.53 0.58 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.1 t 45.54 96.89 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.858 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 11.4 Cg_exo -70.94 134.9 33.66 Favored 'Cis proline' 0 C--N 1.347 0.484 0 C-N-CA 123.7 -1.375 . . . . 0.0 112.07 -0.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.51 154.67 16.02 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.532 2.155 . . . . 0.0 112.397 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.737 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.9 mmt85 -104.26 78.67 0.35 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.8 Cg_endo -49.19 -22.87 5.92 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.796 2.33 . . . . 0.0 112.652 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -26.38 21.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 111.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.402 ' O ' ' CE ' ' A' ' 493' ' ' MET . 6.8 t-160 -86.5 -36.44 18.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.737 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.5 m -64.28 -41.88 93.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.368 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.441 ' CD1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.29 -26.74 19.59 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.912 0.387 . . . . 0.0 110.178 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -74.0 -43.14 59.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.27 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.492 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -64.34 -28.32 69.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.924 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.538 HD21 ' CD2' ' A' ' 476' ' ' TYR . 2.7 mm? -71.71 -45.42 61.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.005 0.431 . . . . 0.0 110.279 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.856 ' HB2' HD11 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.83 -31.28 62.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.136 -179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -84.92 -50.29 7.64 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.746 0.308 . . . . 0.0 110.273 179.188 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.678 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -52.03 -44.62 64.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.163 0.506 . . . . 0.0 109.761 179.108 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.556 HG11 HD22 ' A' ' 566' ' ' LEU . 50.0 t -62.67 -42.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.378 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -27.99 57.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -73.05 -38.12 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.571 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -65.98 -41.02 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.196 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -57.83 -40.14 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.444 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -65.65 -38.46 89.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.535 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . 0.773 ' OD1' HD13 ' A' ' 465' ' ' LEU . 12.0 t0 -63.56 -38.35 90.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.44 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.614 ' HG2' HD21 ' A' ' 534' ' ' LEU . 2.3 ttp180 -58.7 -47.08 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.424 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -63.71 -32.0 73.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.413 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . 0.635 ' HD2' HD21 ' A' ' 465' ' ' LEU . 0.1 OUTLIER -66.23 -36.66 83.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.533 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.584 HG21 ' HB2' ' A' ' 534' ' ' LEU . 96.1 m -58.33 -52.84 63.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.152 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -57.08 -52.1 66.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.272 0.558 . . . . 0.0 110.204 179.083 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -58.34 -41.64 85.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.723 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.679 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.1 OUTLIER -53.04 -39.16 63.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.494 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -60.0 -51.03 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.764 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -75.72 -31.69 59.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.721 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -60.52 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 110.703 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.017 HG11 HD11 ' A' ' 526' ' ' ILE . 9.8 p -61.38 -23.67 31.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -77.3 -23.41 51.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 33.2 mtm -88.4 -17.78 29.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.348 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 519' ' ' ASP . 16.1 m -115.19 -44.46 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.776 0.322 . . . . 0.0 111.351 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 5.1 t0 -126.76 73.38 75.33 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.276 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.85 -30.11 83.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.623 2.215 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -64.19 -57.47 9.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.021 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -76.4 -27.74 56.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.768 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -52.53 -41.23 63.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.009 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.28 -29.48 62.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.753 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -75.38 -32.02 60.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.731 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.017 HD11 HG11 ' A' ' 515' ' ' VAL . 33.2 pt -81.7 -9.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.487 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.38 -49.21 3.82 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.687 0.279 . . . . 0.0 111.564 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 2.6 m -64.18 -33.23 75.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.588 ' O ' HG22 ' A' ' 532' ' ' THR . 0.8 OUTLIER -75.84 -45.03 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.463 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.494 HG11 ' CD2' ' A' ' 512' ' ' PHE . 35.5 t -62.07 -32.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.6 mmt -68.31 -52.21 36.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.705 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.1 t -59.55 -30.7 68.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.852 0.358 . . . . 0.0 110.298 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.508 ' O ' HD12 ' A' ' 537' ' ' ILE . 21.7 t60 -59.01 -43.56 91.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.234 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.614 HD21 ' HG2' ' A' ' 505' ' ' ARG . 1.7 tm? -63.76 -42.92 97.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.15 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -42.46 98.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.012 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.45 HG13 ' CG ' ' A' ' 540' ' ' ARG . 22.9 t -55.85 -37.58 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.4 OUTLIER -56.25 -54.66 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.426 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . 0.44 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -75.43 -42.08 54.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.58 -49.9 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.45 ' CG ' HG13 ' A' ' 536' ' ' VAL . 7.3 mmp_? -57.28 -38.58 74.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.526 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 18.3 ttm -55.51 -35.11 65.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.313 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -72.49 -30.59 64.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.607 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.3 -36.38 76.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 t -64.63 -41.19 96.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.578 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 52.9 mt -62.69 -34.98 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.418 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.2 m -69.9 -39.47 76.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 0.0 110.651 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 544' ' ' SER . 25.0 mt -62.5 -37.9 87.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.666 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.925 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.57 -31.23 19.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.036 179.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.925 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.4 m-85 -56.43 -22.48 32.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.204 179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -47.58 -29.19 2.7 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 121.144 0.497 . . . . 0.0 110.133 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.404 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.3 t -105.37 77.66 0.38 Allowed Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.965 178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -45.89 -30.62 7.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 557' ' ' GLU . . . -68.29 -54.17 19.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 551' ' ' VAL . 90.5 t -75.22 -45.55 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.871 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.06 -30.94 11.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.571 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -77.1 -52.26 9.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.593 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 1.6 mm-40 -61.43 -41.92 97.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.109 0.48 . . . . 0.0 110.609 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -70.77 -41.41 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.837 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 18.3 mm100 -63.44 -37.13 86.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.715 0.293 . . . . 0.0 111.217 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -51.92 67.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.03 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . 0.406 ' HG3' ' CG ' ' A' ' 491' ' ' PHE . 4.7 pt-20 -79.35 -35.56 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.556 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.681 ' O ' HD12 ' A' ' 566' ' ' LEU . 8.3 t -60.44 -52.87 56.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -39.74 91.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.535 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.4 mm-40 -68.99 -25.7 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.214 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.856 HD11 ' HB2' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -75.84 -35.41 59.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.529 -179.245 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.681 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mt -84.02 -16.04 45.39 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.535 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 23.4 mt-30 -56.78 -48.94 76.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.982 0.42 . . . . 0.0 110.703 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -60.28 -30.03 69.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.962 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.818 0.342 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 71.1 t -54.68 -41.93 58.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.512 ' HA ' HD12 ' A' ' 465' ' ' LEU . 4.4 mt-10 -51.54 -43.75 62.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.968 0.413 . . . . 0.0 110.517 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.86 -31.09 72.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 41.4 mtp -67.63 -44.01 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.715 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 462' ' ' GLU . 4.6 mt -65.86 -26.61 67.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -76.41 -43.48 40.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.95 -54.74 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.764 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.402 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 5.3 ptm180 -57.81 -31.38 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.707 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 497' ' ' TYR . 9.8 ttp-105 -80.91 -40.86 23.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.645 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -62.66 1.68 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.18 0.514 . . . . 0.0 109.991 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.66 HD12 HD22 ' A' ' 475' ' ' ASN . 1.7 pp -53.33 -34.16 56.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.773 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 497' ' ' TYR . . . -64.85 -41.31 95.79 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.962 0.41 . . . . 0.0 110.554 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 497' ' ' TYR . 1.1 tm? -73.05 -43.07 62.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.106 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.92 -27.18 67.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.594 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.66 HD22 HD12 ' A' ' 471' ' ' LEU . 6.9 m-80 -70.55 -46.68 63.1 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.534 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -65.24 -38.63 90.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.05 179.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.595 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -56.15 -35.41 41.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.425 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 78.4 m -57.64 -45.44 85.46 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.665 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -65.83 -29.0 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.347 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.862 HD11 ' HB2' ' A' ' 548' ' ' LEU . 6.3 mt -62.75 -42.58 99.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.156 179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.464 ' O ' HG23 ' A' ' 483' ' ' VAL . 66.0 mm-40 -83.18 -13.26 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.445 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.455 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -37.2 -56.05 0.95 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.775 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 481' ' ' GLN . 43.5 t 44.42 96.93 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.933 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.61 134.67 25.94 Favored 'Cis proline' 0 C--N 1.347 0.458 0 C-N-CA 123.587 -1.422 . . . . 0.0 112.016 -0.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.455 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 87.4 Cg_endo -84.19 164.17 13.17 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.499 2.133 . . . . 0.0 112.422 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.722 ' O ' HG13 ' A' ' 490' ' ' VAL . 6.4 mtt85 -112.76 78.35 2.81 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.064 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.494 ' HA ' HG22 ' A' ' 490' ' ' VAL . 84.5 Cg_exo -46.82 -27.03 5.19 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.522 2.148 . . . . 0.0 112.513 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -85.54 -25.72 26.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.381 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 13.5 t-160 -87.65 -36.91 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.818 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.6 m -65.45 -34.05 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.509 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.756 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.96 -26.4 67.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 3.9 t30 -68.15 -56.51 8.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.46 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -53.64 -30.54 43.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.923 0.392 . . . . 0.0 110.484 179.557 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.818 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.7 mm? -62.15 -53.7 51.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.441 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -55.05 -27.14 42.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.967 -179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.441 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 3.1 mmmt -74.39 -53.05 10.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.877 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.47 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -64.49 -33.6 76.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.639 179.373 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 494' ' ' LEU . 58.9 t -67.03 -46.89 83.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.117 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.61 -27.25 62.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.13 -38.31 75.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.534 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.434 ' HG2' ' HD2' ' A' ' 469' ' ' ARG . 1.2 mt-10 -62.44 -49.12 76.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.163 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.459 HE21 HG12 ' A' ' 498' ' ' VAL . 71.9 mt-30 -56.6 -40.79 75.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -65.14 -31.96 73.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -74.53 -42.03 59.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.537 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.668 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.2 ttt-85 -59.27 -53.71 55.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.413 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -27.31 69.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.385 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 510' ' ' LYS . 0.1 OUTLIER -70.17 -40.95 74.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.375 179.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.544 ' CG2' HG13 ' A' ' 530' ' ' VAL . 56.9 m -60.91 -31.7 71.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -68.22 -39.33 82.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.113 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 507' ' ' HIS . 7.0 mmmt -60.23 -45.95 91.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.765 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.8 OUTLIER -55.12 -41.27 71.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.891 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -51.2 -54.56 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.227 0.536 . . . . 0.0 110.696 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -75.6 -40.05 57.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.586 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . 0.436 ' O ' HG22 ' A' ' 518' ' ' VAL . 3.0 t60 -62.49 -54.71 35.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.715 0.293 . . . . 0.0 110.886 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 526' ' ' ILE . 8.9 p -60.74 -26.77 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.16 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 3.4 ttp180 -70.81 -26.44 63.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.749 0.309 . . . . 0.0 111.025 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 44.4 mtm -89.78 -15.68 31.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.749 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 519' ' ' ASP . 17.7 m -117.02 -47.28 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 5.0 t0 -127.28 74.48 77.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.674 0.273 . . . . 0.0 111.55 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.02 -31.11 66.35 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -63.73 -57.72 9.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.017 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.664 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -73.83 -28.25 61.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.52 179.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.519 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -51.36 -40.72 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.011 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.431 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -71.35 -30.18 65.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.525 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -41.82 56.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.414 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.054 HD11 HG11 ' A' ' 515' ' ' VAL . 42.1 pt -71.83 -18.8 19.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.711 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 12.4 mtp85 -41.61 -51.54 3.96 Favored 'General case' 0 N--CA 1.462 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.664 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 39.6 m -60.38 -33.94 73.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.633 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.51 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -76.62 -40.73 48.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.238 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.544 HG13 ' CG2' ' A' ' 508' ' ' THR . 46.9 t -63.05 -33.17 59.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.082 0.468 . . . . 0.0 110.321 179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.626 ' HA ' HD12 ' A' ' 534' ' ' LEU . 3.7 mmt -67.92 -54.83 15.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.488 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 536' ' ' VAL . 14.8 t -57.85 -25.57 60.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 110.174 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.6 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -60.54 -48.63 80.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.99 -44.67 96.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.338 179.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -61.79 -42.28 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.189 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 532' ' ' THR . 41.3 t -55.69 -37.3 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.525 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.668 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -57.73 -55.28 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -37.38 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.34 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -62.3 -59.16 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.77 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.658 ' HG3' HG13 ' A' ' 536' ' ' VAL . 52.3 mtt180 -54.05 -35.3 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.608 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.53 ' HE1' HG13 ' A' ' 498' ' ' VAL . 32.1 ttm -57.41 -34.97 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.255 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -71.27 -30.61 66.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.548 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -67.37 -42.01 84.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 547' ' ' LEU . 5.0 p -61.79 -39.54 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.9 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.461 ' HB3' ' CE2' ' A' ' 549' ' ' TYR . 57.9 mt -63.33 -31.54 72.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 13.1 m -67.36 -35.24 78.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.9 mt -63.64 -39.36 94.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.607 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.915 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.77 -31.74 22.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.818 179.401 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.915 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.3 m-85 -54.95 -24.0 21.74 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -48.01 -28.55 2.85 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-O 121.114 0.483 . . . . 0.0 110.057 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.4 t -105.6 76.8 0.36 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.945 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -46.86 -27.73 6.08 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 556' ' ' GLU . . . -69.84 -48.49 58.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.117 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.449 ' H ' HG12 ' A' ' 551' ' ' VAL . 79.0 t -82.98 -41.78 17.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.058 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.847 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.48 -36.04 54.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.03 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 17.0 pt-20 -74.48 -46.04 42.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.549 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -42.7 96.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.972 0.415 . . . . 0.0 110.596 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -72.65 -39.01 60.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.815 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.483 ' N ' HD12 ' A' ' 558' ' ' ILE . 36.9 mm-40 -62.18 -41.43 98.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.723 0.297 . . . . 0.0 111.186 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -60.99 -47.91 84.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.245 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.89 -33.79 45.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.695 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.79 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.5 t -63.28 -55.94 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.722 0.296 . . . . 0.0 110.817 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 1.9 t70 -59.31 -36.01 74.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.51 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.542 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.5 mm-40 -69.4 -24.92 63.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -75.47 -32.08 60.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.881 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mt -86.54 -19.22 29.79 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.542 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 5.9 mt-30 -59.4 -43.14 93.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.945 0.402 . . . . 0.0 110.76 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -29.27 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.086 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.932 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.809 0.337 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.14 -42.78 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -51.63 -43.93 62.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.982 0.42 . . . . 0.0 110.438 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.55 -31.35 72.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.715 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 28.6 mtp -65.78 -47.89 73.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.05 -39.71 79.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 470' ' ' ARG . 9.3 m-20 -64.61 -51.43 62.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.633 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -47.33 -45.7 24.75 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.981 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.09 -32.28 71.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -81.02 -41.95 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.983 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 466' ' ' ASN . 23.8 mmm180 -60.66 -60.83 3.18 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.271 0.558 . . . . 0.0 109.858 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.711 HD12 HD22 ' A' ' 475' ' ' ASN . 1.0 OUTLIER -53.15 -37.6 61.98 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.559 179.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' ' 497' ' ' TYR . . . -68.52 -42.83 77.94 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.134 0.492 . . . . 0.0 109.749 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.88 HD21 ' HB2' ' A' ' 544' ' ' SER . 0.3 OUTLIER -65.13 -50.2 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.79 -26.67 68.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.315 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.711 HD22 HD12 ' A' ' 471' ' ' LEU . 7.2 m-20 -70.32 -49.71 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.261 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.473 ' OH ' ' HB3' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -70.32 -28.13 64.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.922 0.392 . . . . 0.0 110.232 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.602 HD13 HD12 ' A' ' 480' ' ' LEU . 19.0 mm -67.93 -33.08 59.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.207 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -61.7 -47.24 86.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.851 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -61.06 -30.15 70.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.244 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 548' ' ' LEU . 9.5 mt -59.11 -47.21 86.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.312 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.798 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.3 mp0 -88.03 -11.26 47.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -27.9 -51.74 0.07 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 481' ' ' GLN . 72.5 t 46.69 97.43 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.635 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 69.4 Cg_endo -74.18 134.78 37.19 Favored 'Cis proline' 0 C--N 1.349 0.581 0 C-N-CA 123.393 -1.503 . . . . 0.0 112.155 -0.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 84.4 Cg_endo -82.38 139.81 10.53 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.401 2.067 . . . . 0.0 112.311 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.916 ' O ' HG13 ' A' ' 490' ' ' VAL . 7.5 mtt180 -101.47 83.71 0.47 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.556 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.498 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.0 Cg_endo -47.87 -25.68 6.38 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.878 2.386 . . . . 0.0 112.463 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.22 -27.81 24.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.332 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 486' ' ' ARG . 0.0 OUTLIER -87.65 -36.39 17.47 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.1 m -62.58 -36.03 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.205 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.631 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -58.22 -32.26 68.15 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 121.004 0.431 . . . . 0.0 109.983 179.176 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -66.49 -45.44 79.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.421 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -56.16 -35.88 67.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.476 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.4 mm? -58.69 -49.95 75.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.065 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.518 ' CG ' HD13 ' A' ' 565' ' ' LEU . 17.3 mtpt -47.07 -43.39 20.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -54.86 33.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.191 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.721 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -59.65 -34.84 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.012 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.948 HG11 HD21 ' A' ' 566' ' ' LEU . 77.2 t -69.77 -51.27 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.405 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.25 -26.29 28.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.92 -42.87 69.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.55 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.56 ' HG3' ' HE2' ' A' ' 541' ' ' MET . 1.2 mt-10 -62.48 -44.1 97.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.133 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.4 -37.76 65.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.484 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -66.92 -34.67 78.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.307 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . 0.581 ' OD1' HD11 ' A' ' 537' ' ' ILE . 12.9 t70 -63.8 -41.73 97.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.421 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.481 ' HA ' HD13 ' A' ' 537' ' ' ILE . 6.4 ttt180 -60.43 -40.54 91.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.259 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.96 -31.31 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.301 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -70.36 -31.37 68.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.33 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.64 HG21 ' HG ' ' A' ' 534' ' ' LEU . 3.7 m -60.49 -48.98 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.471 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.5 mp -58.2 -43.68 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.64 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp -60.57 -38.7 85.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.629 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.838 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.1 OUTLIER -60.3 -36.24 77.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.791 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.2 OUTLIER -57.62 -54.57 45.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.504 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -76.03 -30.85 58.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.209 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.651 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.057 HG11 HD11 ' A' ' 526' ' ' ILE . 12.7 p -60.57 -24.34 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -74.78 -23.31 58.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.5 mtp -87.34 -22.29 25.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.457 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.1 m -111.24 -41.8 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.51 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 2.2 t0 -128.9 73.69 81.37 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.05 -31.77 83.76 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.69 2.26 . . . . 0.0 112.392 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -63.62 -56.69 13.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.605 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -77.58 -27.4 51.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -53.14 -40.06 63.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.33 61.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.686 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -74.4 -30.29 61.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.678 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.057 HD11 HG11 ' A' ' 515' ' ' VAL . 23.1 pt -82.41 -7.58 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.832 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.502 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -42.71 -45.45 4.74 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.849 0.357 . . . . 0.0 111.363 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 1.9 m -71.26 -29.71 65.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.723 ' O ' HG22 ' A' ' 532' ' ' THR . 0.6 OUTLIER -73.83 -44.87 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.17 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.791 HG11 ' CD2' ' A' ' 512' ' ' PHE . 10.0 t -58.16 -32.16 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.665 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.0 mmt -66.23 -56.21 12.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.416 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.9 t -55.1 -28.95 56.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.492 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 530' ' ' VAL . 4.8 m-70 -58.75 -47.78 83.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.184 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -62.58 -43.9 97.65 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.117 0.484 . . . . 0.0 109.77 178.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -59.08 -41.86 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.659 HG13 ' HG3' ' A' ' 540' ' ' ARG . 22.9 t -53.45 -40.97 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.581 HD11 ' OD1' ' A' ' 504' ' ' ASP . 0.7 OUTLIER -55.68 -54.08 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.555 179.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -73.97 -41.89 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.68 -55.76 30.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.962 0.41 . . . . 0.0 110.714 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.659 ' HG3' HG13 ' A' ' 536' ' ' VAL . 37.0 mtt180 -56.45 -30.37 62.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.56 ' HE2' ' HG3' ' A' ' 501' ' ' GLU . 31.2 ttm -58.51 -37.3 75.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.162 0.506 . . . . 0.0 109.688 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.55 -36.88 85.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.967 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -42.85 80.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.88 ' HB2' HD21 ' A' ' 473' ' ' LEU . 8.3 p -59.23 -39.72 83.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.204 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 59.1 mt -56.57 -32.59 65.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.555 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.8 OUTLIER -68.14 -38.72 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.466 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 544' ' ' SER . 24.6 mt -62.1 -41.68 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.483 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -81.61 -31.61 32.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.589 179.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.891 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.0 m-85 -54.66 -23.82 18.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.124 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.38 -28.92 2.28 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.053 0.454 . . . . 0.0 110.099 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.46 77.8 0.33 Allowed Pre-proline 0 C--N 1.332 -0.159 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.757 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -45.86 -31.94 8.66 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.829 2.352 . . . . 0.0 112.637 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -67.78 -54.08 22.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.324 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 557' ' ' GLU . 86.5 t -77.01 -42.55 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.088 0.47 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.875 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.77 -33.63 24.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.698 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -78.61 -51.71 9.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.509 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 554' ' ' VAL . 16.5 pt-20 -61.39 -42.5 98.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.074 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 554' ' ' VAL . 2.4 pp -72.62 -35.76 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.709 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -61.47 -41.88 97.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -50.41 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.669 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.8 -40.22 66.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.067 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.791 ' HA ' HD23 ' A' ' 565' ' ' LEU . 5.7 t -63.55 -53.42 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.722 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.73 -28.06 60.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.597 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.579 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 52.2 mm-40 -76.84 -23.99 52.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.974 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -77.74 -38.49 46.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.592 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.948 HD21 HG11 ' A' ' 498' ' ' VAL . 1.5 mt -86.93 -23.17 25.24 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.579 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.0 OUTLIER -64.73 -58.34 6.53 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.484 -0.487 . . . . 0.0 110.858 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -52.64 -38.28 60.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.091 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 566' ' ' LEU . 10.3 pt-20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.804 0.335 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.67 -43.13 90.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.22 -48.85 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 0.0 110.493 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.66 -30.81 71.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.678 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.82 -42.49 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.813 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 30.7 mt -56.54 -38.89 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . 0.404 ' O ' ' HG2' ' A' ' 470' ' ' ARG . 2.3 m-80 -62.77 -55.57 25.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.637 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.21 -43.64 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.963 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -59.08 -32.56 69.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 29.9 ttm105 -81.28 -41.58 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 466' ' ' ASN . 16.0 mmm180 -60.96 -59.9 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.217 0.532 . . . . 0.0 109.894 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.656 HD12 HD22 ' A' ' 475' ' ' ASN . 1.5 pp -55.92 -38.82 70.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.72 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.88 -40.98 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.189 0.519 . . . . 0.0 109.943 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.716 HD21 ' HB3' ' A' ' 544' ' ' SER . 0.2 OUTLIER -68.36 -53.47 23.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.874 178.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -60.53 -24.63 65.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.464 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.656 HD22 HD12 ' A' ' 471' ' ' LEU . 7.2 m-20 -70.77 -49.8 42.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.697 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.712 ' HE2' HD22 ' A' ' 473' ' ' LEU . 0.6 OUTLIER -70.61 -29.93 66.45 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 119.746 -0.781 . . . . 0.0 110.051 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.756 HD13 HD12 ' A' ' 480' ' ' LEU . 20.7 mm -60.23 -33.89 55.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.875 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 89.9 m -66.76 -46.97 73.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.683 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.585 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -63.53 -26.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.087 178.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.756 HD12 HD13 ' A' ' 477' ' ' ILE . 13.6 mt -61.49 -49.14 77.97 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.216 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.813 ' O ' HG23 ' A' ' 483' ' ' VAL . 5.6 mp0 -84.0 -11.64 56.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.584 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -30.84 -50.66 0.15 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 481' ' ' GLN . 61.8 t 46.04 95.23 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.662 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 73.5 Cg_endo -76.09 133.17 30.1 Favored 'Cis proline' 0 C--N 1.349 0.564 0 C-N-CA 123.43 -1.488 . . . . 0.0 112.202 -0.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.449 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 73.5 Cg_endo -74.46 158.41 44.25 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.318 2.012 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.769 ' O ' HG13 ' A' ' 490' ' ' VAL . 11.0 mmt180 -113.01 80.68 4.16 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.032 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.516 ' HA ' HG22 ' A' ' 490' ' ' VAL . 71.3 Cg_exo -48.2 -24.1 5.4 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.566 2.177 . . . . 0.0 112.598 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.22 -26.49 23.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.098 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.422 ' O ' ' CE ' ' A' ' 493' ' ' MET . 16.9 t-160 -87.22 -36.13 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.819 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.5 m -65.4 -37.01 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.521 179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.737 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -61.98 -26.71 68.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.281 179.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 43.9 t30 -68.76 -56.22 8.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.594 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.431 ' HG2' ' HB3' ' A' ' 475' ' ' ASN . 0.0 OUTLIER -55.18 -27.7 47.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.618 179.652 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 490' ' ' VAL . 4.0 mm? -64.76 -51.75 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.996 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.421 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 6.5 ptmt -56.71 -27.41 59.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.421 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.1 OUTLIER -74.25 -49.74 21.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.967 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.652 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -60.35 -42.62 96.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.064 179.632 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.522 HG11 ' CD2' ' A' ' 566' ' ' LEU . 60.0 t -60.11 -43.57 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.335 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -25.4 62.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.534 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -76.95 -51.28 11.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 498' ' ' VAL . 0.2 OUTLIER -57.89 -29.08 64.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.854 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 17.6 mt-30 -74.35 -37.55 63.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -64.78 -33.21 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.437 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . 0.4 ' HB3' ' CG1' ' A' ' 537' ' ' ILE . 0.5 OUTLIER -65.99 -50.45 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.503 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.54 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.4 OUTLIER -58.65 -45.72 88.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.334 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -64.51 -28.98 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.389 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.5 -34.61 65.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.305 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 530' ' ' VAL . 88.6 m -60.58 -44.71 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.37 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -51.7 68.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.546 179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -51.92 -39.22 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.887 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.562 ' O ' HG12 ' A' ' 515' ' ' VAL . 2.8 m-70 -60.66 -44.15 96.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.574 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.433 ' O ' ' HB2' ' A' ' 516' ' ' ARG . 0.3 OUTLIER -54.12 -48.07 71.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.146 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.39 -36.54 66.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.49 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -59.7 4.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.562 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.092 HG11 HD11 ' A' ' 526' ' ' ILE . 8.3 p -61.19 -24.2 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 5.8 tpt180 -78.98 -23.23 44.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.687 0.279 . . . . 0.0 111.081 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 56.2 mtm -82.56 -22.85 34.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.173 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -43.96 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.643 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 515' ' ' VAL . 0.3 OUTLIER -122.27 79.69 44.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.397 -179.447 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.47 -55.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.438 2.092 . . . . 0.0 112.002 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -57.59 -48.71 78.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.586 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.417 ' CE ' ' CG2' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -58.83 -40.32 83.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.316 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.469 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -52.76 -33.83 50.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.78 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.38 -33.16 61.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.764 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -76.49 -31.44 57.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.571 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.092 HD11 HG11 ' A' ' 515' ' ' VAL . 11.3 pt -92.87 -15.82 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.223 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.667 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 19.8 m -50.65 -28.09 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.026 0.441 . . . . 0.0 110.247 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.603 ' O ' HG22 ' A' ' 532' ' ' THR . 1.1 tt0 -82.97 -37.54 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.661 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.525 HG13 HG23 ' A' ' 508' ' ' THR . 49.0 t -69.04 -32.61 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.08 179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.632 ' HA ' HD12 ' A' ' 534' ' ' LEU . 4.7 mmt -65.41 -48.98 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.517 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.2 t -63.33 -25.27 68.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.306 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.835 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.3 OUTLIER -63.22 -41.13 99.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.197 179.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -67.21 -53.18 32.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.537 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 16.5 ptt180 -64.21 -30.21 71.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.475 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 532' ' ' THR . 2.4 t -65.51 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -58.85 -49.09 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.352 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.19 -33.06 50.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.83 -54.77 25.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.103 0.477 . . . . 0.0 110.404 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.408 ' HG3' HG13 ' A' ' 536' ' ' VAL . 0.6 OUTLIER -58.01 -32.88 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.204 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 4.6 ttm -58.1 -36.25 72.62 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.83 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -65.42 -37.09 85.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.806 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -40.95 88.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.074 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.716 ' HB3' HD21 ' A' ' 473' ' ' LEU . 6.1 m -64.14 -43.42 95.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.589 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.89 -42.79 90.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.401 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -36.57 67.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.568 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 544' ' ' SER . 28.0 mt -58.75 -53.92 52.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.993 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.913 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -76.63 -28.96 56.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.431 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.913 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.6 m-85 -60.28 -19.77 56.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.407 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . 0.402 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 87.3 m-20 -47.67 -29.15 2.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 121.141 0.496 . . . . 0.0 110.155 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.37 76.76 0.34 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.736 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 2.1 Cg_endo -45.93 -30.4 7.01 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.832 2.355 . . . . 0.0 112.523 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.16 -54.06 16.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.68 -45.43 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.916 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.826 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.16 -33.52 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.67 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.69 -51.51 11.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.366 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.03 -42.59 94.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 110.729 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.601 HG21 HG21 ' A' ' 490' ' ' VAL . 2.6 pp -71.72 -40.26 69.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.76 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.514 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.7 mm-40 -62.12 -44.36 96.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -48.21 80.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.064 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.17 -39.17 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.474 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.937 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.8 t -60.03 -50.68 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.4 t70 -58.58 -40.52 83.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.476 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 5.0 mm-40 -66.9 -24.55 66.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.442 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.37 -31.49 58.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 111.57 -179.405 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.1 mp -84.17 -18.58 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 11.1 mm-40 -58.73 -52.24 66.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.645 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -91.23 -24.56 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.506 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.696 0.284 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 84.6 t -55.23 -43.32 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.103 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 465' ' ' LEU . 6.8 mt-10 -51.97 -42.04 62.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.016 0.436 . . . . 0.0 110.667 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.44 -32.72 74.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.853 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.7 -37.83 88.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.689 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 462' ' ' GLU . 1.2 mt -63.28 -43.59 97.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.667 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -62.58 -38.93 92.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.66 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.403 ' O ' HD23 ' A' ' 471' ' ' LEU . 47.3 m-20 -61.76 -42.69 99.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.675 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 9.6 mtt85 -58.77 -32.55 69.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.679 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -82.49 -40.47 21.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.64 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -62.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.211 0.529 . . . . 0.0 110.098 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.606 HD12 HD22 ' A' ' 475' ' ' ASN . 1.5 pp -57.32 -36.97 71.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.537 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -66.84 -37.38 84.37 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.07 0.462 . . . . 0.0 110.046 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.458 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.2 tm? -72.9 -47.73 43.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.91 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.82 -28.09 69.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.363 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.606 HD22 HD12 ' A' ' 471' ' ' LEU . 12.2 m-20 -70.15 -48.04 59.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.521 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -64.37 -37.44 87.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.166 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.514 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -57.64 -34.76 48.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.278 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 75.2 m -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.902 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.139 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.1 mt -59.18 -41.99 89.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.234 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.792 ' O ' HG23 ' A' ' 483' ' ' VAL . 60.9 mm-40 -80.47 -13.27 59.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.665 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -31.89 -51.58 0.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 481' ' ' GLN . 40.8 t 42.97 96.53 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.007 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 74.4 Cg_endo -75.25 134.25 35.04 Favored 'Cis proline' 0 C--N 1.349 0.578 0 C-N-CA 123.425 -1.489 . . . . 0.0 112.231 -0.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 73.3 Cg_endo -75.71 158.11 39.52 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.343 2.029 . . . . 0.0 112.425 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.551 ' O ' HG13 ' A' ' 490' ' ' VAL . 4.9 mmt85 -111.12 80.07 2.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 490' ' ' VAL . 79.8 Cg_exo -44.32 -26.97 1.8 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.694 2.263 . . . . 0.0 112.93 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -25.98 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.518 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.416 ' CD2' ' HE1' ' A' ' 493' ' ' MET . 21.5 t-160 -86.82 -38.06 17.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 486' ' ' ARG . 5.6 m -63.94 -35.82 74.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.44 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -54.22 -35.01 61.96 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-O 120.968 0.414 . . . . 0.0 110.0 179.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.448 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 36.0 t30 -67.19 -45.52 76.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.983 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.497 ' HB3' ' HB2' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -60.25 -47.63 85.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.089 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.705 ' O ' HG23 ' A' ' 498' ' ' VAL . 2.6 mm? -59.29 -48.81 80.24 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.727 ' HG3' HD13 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.06 -35.45 59.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.621 179.234 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.477 ' HG2' ' N ' ' A' ' 497' ' ' TYR . 0.0 OUTLIER -72.27 -47.11 52.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.11 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.477 ' N ' ' HG2' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -61.58 -42.34 98.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.125 0.488 . . . . 0.0 109.693 179.235 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.898 HG11 HD21 ' A' ' 566' ' ' LEU . 85.2 t -59.09 -49.45 83.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.621 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -25.0 33.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 497' ' ' TYR . . . -74.23 -49.22 24.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.775 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 498' ' ' VAL . 0.8 OUTLIER -58.57 -28.95 66.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.476 HE21 HG12 ' A' ' 498' ' ' VAL . 47.0 mt-30 -69.45 -41.22 76.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.272 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -60.43 -27.78 67.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.598 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.08 -44.72 45.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.741 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.547 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -57.63 -51.06 71.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.541 179.699 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -64.77 -27.49 68.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.465 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . 0.435 ' CD2' HD21 ' A' ' 465' ' ' LEU . 0.3 OUTLIER -70.04 -32.77 71.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 179.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.403 HG22 ' CG1' ' A' ' 530' ' ' VAL . 51.4 m -63.84 -48.31 77.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.527 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.9 mp -56.38 -37.2 69.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -45.43 91.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.725 ' O ' HG12 ' A' ' 515' ' ' VAL . 6.8 m80 -64.92 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.675 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.681 ' HE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -54.27 -49.89 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.77 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -81.69 -37.2 27.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.985 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . 0.541 ' O ' HG22 ' A' ' 518' ' ' VAL . 1.5 t60 -64.23 -56.66 13.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.729 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.074 HG11 HD11 ' A' ' 526' ' ' ILE . 4.8 p -62.12 -30.99 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.656 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -24.16 64.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.5 OUTLIER -89.03 -48.51 7.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.067 0.461 . . . . 0.0 110.661 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 514' ' ' HIS . 22.3 m -76.2 -46.85 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.524 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.476 ' N ' HG23 ' A' ' 518' ' ' VAL . 2.7 t0 -129.62 76.52 78.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.205 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.12 -33.29 91.43 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.611 2.207 . . . . 0.0 112.332 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -62.91 -55.89 22.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.589 ' HD2' HD13 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -72.09 -30.36 65.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.485 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -53.57 -37.26 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.414 ' HA ' ' HD2' ' A' ' 527' ' ' ARG . . . -73.62 -29.83 62.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.101 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -80.57 -28.85 37.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.238 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.074 HD11 HG11 ' A' ' 515' ' ' VAL . 28.4 pt -87.87 -19.45 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.706 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.681 ' HA ' ' HE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.0 -51.87 3.21 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.784 0.326 . . . . 0.0 111.721 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -35.64 76.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.632 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.774 ' O ' HG22 ' A' ' 532' ' ' THR . 1.0 OUTLIER -73.89 -41.8 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.015 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 526' ' ' ILE . 29.1 t -61.59 -32.29 53.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.17 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.597 ' HA ' HD12 ' A' ' 534' ' ' LEU . 1.3 mmt -62.34 -54.55 38.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.6 t -55.96 -26.27 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 110.395 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.92 -49.1 79.0 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.474 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -63.02 -40.08 96.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.041 179.306 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 531' ' ' MET . 7.6 mmt85 -62.08 -45.65 92.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.222 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 540' ' ' ARG . 28.8 t -55.03 -34.3 31.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.651 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.547 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -59.59 -54.73 30.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 179.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . 0.472 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -77.47 -37.56 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.66 -54.58 40.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.569 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.448 ' CG ' HG13 ' A' ' 536' ' ' VAL . 3.3 mmm180 -54.62 -39.44 67.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.407 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.618 ' HE1' HG13 ' A' ' 498' ' ' VAL . 4.2 ttm -54.67 -35.05 63.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.211 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -67.55 -34.08 76.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.41 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -66.96 -44.81 79.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.519 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.858 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.4 m -59.92 -35.84 75.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.706 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 545' ' ' LEU . 44.8 mt -60.8 -53.93 51.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 21.5 p -49.85 -35.53 23.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.986 0.422 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.858 HD12 ' HA ' ' A' ' 544' ' ' SER . 24.5 mt -61.99 -41.43 98.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.923 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -84.94 -30.99 23.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.183 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.923 ' N ' HD13 ' A' ' 548' ' ' LEU . 2.6 m-85 -57.08 -22.28 38.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.242 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . 0.404 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 79.9 m-20 -47.66 -29.27 2.87 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.223 0.535 . . . . 0.0 110.027 178.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.5 t -105.37 77.02 0.35 Allowed Pre-proline 0 N--CA 1.455 -0.207 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.79 178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.6 Cg_endo -45.47 -31.02 6.36 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.867 2.378 . . . . 0.0 112.469 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.88 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.016 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.429 ' H ' HG12 ' A' ' 551' ' ' VAL . 93.6 t -74.45 -43.58 48.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.885 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.0 -31.55 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.87 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.12 -49.62 12.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 111.512 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.83 -49.65 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.151 0.501 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.55 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -63.36 -38.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.629 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -62.72 -38.08 89.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.798 0.333 . . . . 0.0 111.203 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.22 -50.46 73.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.996 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -80.88 -38.08 28.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.713 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 565' ' ' LEU . 8.2 t -62.95 -55.2 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.746 0.308 . . . . 0.0 110.754 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 567' ' ' GLN . 10.1 t0 -59.06 -36.43 75.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.203 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.554 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.97 -24.86 64.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.105 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.4 OUTLIER -73.6 -36.62 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.13 -179.126 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.898 HD21 HG11 ' A' ' 498' ' ' VAL . 1.8 mp -86.73 -16.22 37.07 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -177.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.554 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 13.4 mt-30 -54.93 -47.66 74.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.64 -45.63 89.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.899 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.962 0.411 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.57 -42.84 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.062 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.601 ' HA ' HD12 ' A' ' 465' ' ' LEU . 10.4 mt-10 -51.7 -44.13 63.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.605 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.83 -31.38 72.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.743 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.8 -39.62 76.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.829 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 462' ' ' GLU . 8.6 mt -64.16 -37.63 88.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -63.28 -37.64 88.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -43.81 98.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.583 ' HA ' HD23 ' A' ' 471' ' ' LEU . 0.6 OUTLIER -59.29 -40.76 87.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 17.8 ttp-105 -79.06 -36.33 41.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -46.74 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.532 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.629 HD12 ' ND2' ' A' ' 475' ' ' ASN . 0.8 OUTLIER -61.9 -36.91 82.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.38 179.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -64.7 -48.85 73.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.508 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.561 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -67.07 -41.42 86.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.935 179.327 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.19 -26.99 69.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.321 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.629 ' ND2' HD12 ' A' ' 471' ' ' LEU . 10.1 m-20 -64.95 -51.41 61.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.474 ' OH ' HD13 ' A' ' 473' ' ' LEU . 1.9 p90 -63.01 -33.97 76.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.967 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.654 HD13 HD12 ' A' ' 480' ' ' LEU . 22.6 mm -54.68 -34.78 30.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.109 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.3 m -68.06 -47.22 68.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.744 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.456 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -61.9 -27.17 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.07 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.654 HD12 HD13 ' A' ' 477' ' ' ILE . 14.4 mt -59.82 -49.13 78.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.226 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.804 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.9 mp0 -80.37 -11.76 59.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.472 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -31.44 -50.69 0.18 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.985 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 481' ' ' GLN . 47.8 t 44.29 96.22 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.819 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 7.6 Cg_exo -72.95 134.3 34.41 Favored 'Cis proline' 0 C--N 1.348 0.549 0 C-N-CA 123.799 -1.334 . . . . 0.0 112.06 -0.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 98.9 Cg_endo -79.4 158.01 25.76 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.392 2.061 . . . . 0.0 112.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.697 ' O ' HG13 ' A' ' 490' ' ' VAL . 4.4 mtt-85 -113.45 78.47 3.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.467 ' HA ' HG22 ' A' ' 490' ' ' VAL . 71.0 Cg_exo -48.15 -24.82 6.05 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.507 2.138 . . . . 0.0 112.614 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 -26.67 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.332 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.436 ' O ' ' CE ' ' A' ' 493' ' ' MET . 7.3 t-160 -86.36 -37.54 18.34 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.765 ' O ' HD23 ' A' ' 494' ' ' LEU . 3.9 m -63.98 -36.0 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.32 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.518 ' CE2' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.26 -32.59 62.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.096 179.357 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.415 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 14.7 t30 -67.92 -54.85 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.351 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -56.18 -25.53 47.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.591 179.492 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.9 mm? -67.18 -52.62 39.09 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 0.5 OUTLIER -54.6 -27.61 40.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.807 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 493' ' ' MET . 0.2 OUTLIER -70.32 -55.55 8.88 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -32.61 53.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.858 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.866 HG11 ' CD2' ' A' ' 566' ' ' LEU . 81.0 t -72.68 -46.3 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.075 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -25.96 40.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.477 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.83 -43.41 54.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.017 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 498' ' ' VAL . 1.2 pt-20 -62.49 -28.44 69.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.47 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 501' ' ' GLU . 34.7 mt-30 -65.73 -55.17 18.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.299 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -72.53 -42.03 65.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.668 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.644 ' HA ' HD13 ' A' ' 537' ' ' ILE . 9.4 ttp-105 -60.07 -55.29 35.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.395 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.57 -28.2 63.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.267 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -33.59 72.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.088 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.82 HG21 ' HB2' ' A' ' 534' ' ' LEU . 82.9 m -58.21 -52.92 63.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.121 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.0 mp -61.16 -41.31 96.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.426 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -64.26 -39.2 93.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.565 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.581 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.5 OUTLIER -57.28 -35.36 69.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 110.477 179.59 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.526 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.3 OUTLIER -61.1 -54.69 41.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.484 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -70.97 -28.97 64.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.194 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -66.71 -60.87 2.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.933 HG11 HD11 ' A' ' 526' ' ' ILE . 12.9 p -60.98 -21.32 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.98 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -77.74 -23.52 49.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.727 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 27.1 mtp -85.28 -22.37 28.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.85 -42.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 111.495 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.517 ' O ' ' HB2' ' A' ' 523' ' ' ALA . 17.7 m-20 -130.24 74.35 80.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.112 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -60.16 -39.2 71.06 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.596 2.197 . . . . 0.0 112.257 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -63.42 -55.25 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.99 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.609 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -73.24 -26.34 61.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.72 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -56.47 -37.89 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -74.28 -30.54 62.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.044 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -76.06 -26.3 56.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.933 HD11 HG11 ' A' ' 515' ' ' VAL . 36.4 pt -86.18 -6.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.723 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.457 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -41.37 -47.68 3.59 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.841 0.353 . . . . 0.0 111.55 179.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 73.3 m -62.84 -32.73 74.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.761 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.576 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -74.58 -47.55 31.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.358 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.526 HG11 ' CD2' ' A' ' 512' ' ' PHE . 42.3 t -63.79 -32.38 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.341 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 7.0 mmt -69.26 -50.12 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.617 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 536' ' ' VAL . 11.6 t -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.869 0.366 . . . . 0.0 110.286 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.555 ' O ' HD12 ' A' ' 537' ' ' ILE . 12.8 t60 -58.01 -40.63 81.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.112 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.82 ' HB2' HG21 ' A' ' 508' ' ' THR . 2.5 tm? -64.52 -45.27 87.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.122 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 11.0 mtp85 -64.17 -36.26 83.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.479 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 532' ' ' THR . 42.0 t -59.44 -37.91 72.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.219 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.644 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.57 -53.3 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.272 179.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.46 -42.85 52.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.09 -52.19 66.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.508 ' CG ' HG13 ' A' ' 536' ' ' VAL . 4.2 mmt85 -56.85 -36.04 69.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.661 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.728 ' HE1' HG13 ' A' ' 498' ' ' VAL . 6.4 ttm -56.89 -35.5 69.03 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.005 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . 0.415 ' HA ' HD12 ' A' ' 545' ' ' LEU . 0.3 OUTLIER -68.33 -33.04 73.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.295 179.433 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.81 -41.53 95.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.581 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.0 OUTLIER -60.4 -38.16 83.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.532 179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.421 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 42.8 mt -62.87 -33.03 74.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.503 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -41.43 81.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.3 mt -60.03 -41.21 91.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.003 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.913 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.64 -29.86 23.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.216 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.913 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.3 m-85 -58.55 -20.98 51.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.394 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -47.54 -29.11 2.59 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.052 0.454 . . . . 0.0 110.156 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.3 t -104.56 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.043 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.37 -30.55 8.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.82 2.347 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -54.02 16.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 551' ' ' VAL . 94.2 t -75.67 -45.51 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.835 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -49.62 -35.47 21.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.698 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.4 -52.02 13.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.409 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -43.29 99.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.023 0.44 . . . . 0.0 110.575 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.29 -36.42 67.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.726 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -63.48 -37.99 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -52.67 64.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.962 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.01 -36.3 64.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.366 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.959 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.4 t -64.67 -56.87 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.752 0.31 . . . . 0.0 110.712 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.86 -27.68 60.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.577 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 44.8 mt-10 -79.87 -22.73 42.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.959 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -82.07 -35.56 28.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.352 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.866 ' CD2' HG11 ' A' ' 498' ' ' VAL . 1.2 mp -87.02 -17.07 33.85 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pt20 -57.11 -52.15 66.46 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.006 0.431 . . . . 0.0 110.74 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -60.31 -48.13 83.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.95 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.73 0.3 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.9 -42.16 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 465' ' ' LEU . 8.0 pt-20 -52.21 -50.08 62.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.129 0.49 . . . . 0.0 110.437 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.93 -30.64 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.77 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -69.26 -41.21 77.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.816 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 462' ' ' GLU . 19.8 mt -60.05 -37.66 80.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.781 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.93 -39.02 66.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.749 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -65.25 -51.39 61.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.408 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 5.2 mtp85 -59.82 -27.96 67.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.53 -46.71 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -45.93 86.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.724 HD12 HD22 ' A' ' 475' ' ' ASN . 0.9 OUTLIER -67.44 -38.7 84.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.501 179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.08 -37.09 80.83 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.019 0.437 . . . . 0.0 110.335 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.819 HD21 ' OG ' ' A' ' 544' ' ' SER . 0.5 OUTLIER -75.64 -46.32 32.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.801 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.98 -25.0 66.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.695 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.724 HD22 HD12 ' A' ' 471' ' ' LEU . 6.6 m-20 -72.3 -45.95 57.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.55 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.2 -39.52 86.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.622 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.52 HD13 HD12 ' A' ' 480' ' ' LEU . 19.2 mm -56.26 -34.88 40.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 99.9 m -56.69 -46.79 80.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.93 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.785 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.76 -31.16 72.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.227 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' A' ' 548' ' ' LEU . 5.9 mt -61.61 -44.21 97.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.227 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 483' ' ' VAL . 76.3 mm-40 -87.37 -13.36 43.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.447 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -35.6 -56.48 0.66 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.965 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.1 t 49.74 96.49 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.493 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 13.1 Cg_exo -69.73 134.54 29.85 Favored 'Cis proline' 0 C--N 1.349 0.554 0 C-N-CA 123.565 -1.431 . . . . 0.0 112.08 -0.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.62 151.59 10.19 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.551 2.168 . . . . 0.0 112.317 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.921 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.8 mtt-85 -103.13 80.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.496 ' O ' HG22 ' A' ' 558' ' ' ILE . 7.0 Cg_endo -49.38 -23.79 7.77 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.677 2.252 . . . . 0.0 112.401 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . 0.415 ' H ' ' CD ' ' A' ' 488' ' ' ARG . 0.0 OUTLIER -86.32 -28.07 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.829 0.347 . . . . 0.0 111.203 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -87.39 -35.05 18.55 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.7 m -64.12 -36.58 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.397 179.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.717 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -65.76 -23.98 66.85 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.231 179.241 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 50.8 t30 -67.71 -58.96 3.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.573 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -51.1 -30.22 15.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 110.508 179.687 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.6 mm? -61.35 -53.24 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.44 ' HG3' ' CD ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -57.56 -27.48 62.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.892 -179.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.44 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -75.53 -50.64 15.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.849 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.69 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -61.12 -31.75 71.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.85 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 494' ' ' LEU . 95.2 t -65.23 -51.22 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.639 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.92 -28.45 36.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.572 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.22 -37.74 78.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.419 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 0.8 OUTLIER -66.8 -48.29 69.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.365 179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -52.21 -34.23 44.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.546 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -75.39 -26.4 58.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.445 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . 0.442 ' OD1' HD13 ' A' ' 465' ' ' LEU . 0.7 OUTLIER -75.95 -42.41 48.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.825 179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -36.27 79.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.183 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -62.04 -32.43 72.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.594 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -66.69 -38.93 87.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.502 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.803 HG21 ' HB2' ' A' ' 534' ' ' LEU . 94.5 m -55.93 -46.9 78.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.467 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.7 OUTLIER -58.39 -54.08 51.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.478 179.486 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -59.42 -38.29 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.995 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.671 ' O ' HG12 ' A' ' 515' ' ' VAL . 9.1 m80 -57.39 -35.55 70.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.741 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.457 ' CZ ' ' HB ' ' A' ' 530' ' ' VAL . 0.2 OUTLIER -63.1 -56.51 16.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.876 179.785 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.25 -28.63 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.413 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -65.48 -60.24 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.833 0.349 . . . . 0.0 110.709 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.974 HG11 HD11 ' A' ' 526' ' ' ILE . 12.3 p -61.32 -21.75 25.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.107 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -79.54 -23.24 42.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 21.6 mtp -83.39 -24.78 31.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.776 0.322 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.6 m -110.05 -41.28 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.89 75.67 71.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.946 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.83 -49.9 14.2 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.599 2.2 . . . . 0.0 112.287 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -52.74 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.783 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.535 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -62.38 -36.96 83.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.96 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.428 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.56 -32.6 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.189 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.33 54.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.197 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -80.32 -24.5 39.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.974 HD11 HG11 ' A' ' 515' ' ' VAL . 23.7 pt -91.63 -11.49 9.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.831 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.452 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.9 OUTLIER -41.14 -48.76 3.45 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.772 0.32 . . . . 0.0 111.567 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -62.35 -33.45 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.721 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.591 ' O ' HG22 ' A' ' 532' ' ' THR . 0.4 OUTLIER -75.51 -48.75 21.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.227 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.457 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 46.1 t -60.35 -32.27 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.17 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.426 ' O ' ' HG3' ' A' ' 535' ' ' ARG . 4.6 mmt -67.37 -54.88 16.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 529' ' ' GLN . 13.4 t -58.27 -32.89 68.83 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.45 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -58.71 -37.92 77.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.079 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.803 ' HB2' HG21 ' A' ' 508' ' ' THR . 2.5 tm? -70.74 -43.52 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.283 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 531' ' ' MET . 2.0 mtp-105 -65.14 -37.22 86.72 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.574 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.673 HG13 ' HG3' ' A' ' 540' ' ' ARG . 5.9 t -57.75 -35.01 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.135 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 538' ' ' TYR . 0.2 OUTLIER -61.38 -51.81 68.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.411 179.435 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . 0.466 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.54 -40.39 56.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.14 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.45 -53.3 58.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.673 ' HG3' HG13 ' A' ' 536' ' ' VAL . 5.6 mtm180 -57.96 -33.26 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.583 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 31.8 ttm -58.9 -35.28 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.055 0.455 . . . . 0.0 110.031 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.406 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -64.47 -39.55 94.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.436 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.819 ' OG ' HD21 ' A' ' 473' ' ' LEU . 9.7 t -62.34 -42.49 99.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.425 179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 27.5 mt -63.25 -28.37 69.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.622 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 13.8 t -72.21 -34.05 68.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.051 0.453 . . . . 0.0 110.494 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 544' ' ' SER . 23.4 mt -62.37 -40.21 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.511 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.931 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -85.71 -31.94 22.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.13 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.931 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.1 OUTLIER -55.96 -22.28 25.61 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.063 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . 0.41 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 88.4 m-20 -48.47 -28.85 3.56 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.466 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.3 t -106.3 75.15 0.35 Allowed Pre-proline 0 N--CA 1.454 -0.229 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.703 178.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.6 Cg_endo -45.34 -28.92 4.15 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.8 2.334 . . . . 0.0 112.329 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.43 -54.07 19.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.718 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.466 ' H ' HG12 ' A' ' 551' ' ' VAL . 69.2 t -74.16 -42.77 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.414 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.856 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.47 -36.12 54.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.599 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -72.89 -50.73 22.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.76 -44.44 96.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 487' ' ' PRO . 2.5 pp -70.85 -36.9 66.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.576 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 11.5 mm100 -62.1 -45.25 94.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 111.161 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -46.39 85.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -78.57 -35.87 45.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.477 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.942 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.4 t -61.35 -53.86 42.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.773 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 567' ' ' GLN . 1.7 t0 -58.95 -38.99 80.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.483 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mt-10 -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.416 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.942 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -76.04 -32.09 59.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.556 -179.334 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.2 mt -86.78 -15.51 39.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 5.7 mm100 -54.92 -50.99 67.46 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.103 0.478 . . . . 0.0 110.405 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -58.26 -36.68 73.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.877 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.065 0.46 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.03 -43.67 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.37 -44.73 65.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.524 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.7 71.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.855 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -39.1 83.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.754 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.28 -31.37 71.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -70.54 -37.93 74.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -51.64 58.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.4 ' HA ' HD23 ' A' ' 471' ' ' LEU . 0.0 OUTLIER -60.0 -28.74 67.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.792 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -83.71 -50.39 8.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -45.28 93.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.585 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.607 HD12 ' ND2' ' A' ' 475' ' ' ASN . 0.4 OUTLIER -66.29 -35.27 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.404 179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -69.02 -45.63 70.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.482 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -68.19 -42.2 80.25 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.115 179.344 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.35 -27.65 69.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.415 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.607 ' ND2' HD12 ' A' ' 471' ' ' LEU . 13.1 m-20 -65.08 -51.91 58.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.493 ' CD2' HD22 ' A' ' 494' ' ' LEU . 2.0 p90 -62.74 -34.58 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.052 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 480' ' ' LEU . 23.1 mm -54.58 -34.78 30.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.223 178.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.1 m -68.35 -47.34 67.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.573 179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.631 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.49 -18.53 64.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.336 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.689 HD12 HD13 ' A' ' 477' ' ' ILE . 14.4 mt -68.88 -47.28 66.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.323 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.721 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.8 mp0 -80.46 -12.62 59.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.691 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -33.88 -51.68 0.41 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.755 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 481' ' ' GLN . 41.1 t 43.47 94.7 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.88 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -71.42 134.01 30.72 Favored 'Cis proline' 0 C--N 1.347 0.448 0 C-N-CA 123.647 -1.397 . . . . 0.0 111.978 -0.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.606 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 82.4 Cg_endo -77.98 170.19 19.26 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.378 2.052 . . . . 0.0 112.233 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.663 ' O ' HG13 ' A' ' 490' ' ' VAL . 17.3 mtt85 -116.35 73.14 5.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.486 ' HA ' HG22 ' A' ' 490' ' ' VAL . 88.3 Cg_exo -46.21 -25.82 3.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.579 2.186 . . . . 0.0 112.682 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.38 -27.11 24.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.352 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 8.8 t-160 -86.34 -36.23 19.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.501 0.667 . . . . 0.0 109.265 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.785 ' O ' HD23 ' A' ' 494' ' ' LEU . 4.4 m -65.71 -36.33 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.531 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.478 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -59.51 -27.44 66.17 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.365 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 0.6 OUTLIER -70.18 -55.89 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.313 179.456 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -54.83 -29.36 54.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.493 179.415 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 490' ' ' VAL . 3.9 mm? -63.92 -53.61 47.63 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.803 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.688 ' CB ' HD11 ' A' ' 565' ' ' LEU . 1.1 ptmt -53.88 -26.65 25.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.793 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.447 ' CD ' ' HG3' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -76.2 -54.32 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.101 179.214 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.408 ' CE2' ' OE2' ' A' ' 501' ' ' GLU . 0.0 OUTLIER -56.72 -37.91 71.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.343 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.95 HG22 ' HE2' ' A' ' 541' ' ' MET . 77.9 t -68.02 -47.51 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.464 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -26.13 61.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.677 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.8 -39.37 69.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.408 ' OE2' ' CE2' ' A' ' 497' ' ' TYR . 2.0 mt-10 -67.15 -42.97 83.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.391 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -55.04 -42.5 72.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.554 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.489 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . 0.589 ' OD1' HD11 ' A' ' 537' ' ' ILE . 5.4 t70 -66.45 -46.81 75.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.596 ' HA ' HD13 ' A' ' 537' ' ' ILE . 0.0 OUTLIER -56.08 -49.24 74.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.424 179.659 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -66.65 -30.46 70.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.153 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -69.99 -31.9 69.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.162 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.503 HG23 HG13 ' A' ' 530' ' ' VAL . 67.1 m -61.04 -52.52 64.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.399 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.8 mp -56.88 -33.7 67.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.707 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -63.11 -45.76 90.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.682 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.1 OUTLIER -60.24 -32.77 71.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.712 179.789 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.0 OUTLIER -58.73 -53.91 52.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.609 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -73.82 -37.77 64.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.12 -55.25 30.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.761 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.994 HG11 HD11 ' A' ' 526' ' ' ILE . 7.4 p -60.79 -24.81 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -74.75 -23.29 58.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 32.9 mtm -86.45 -23.76 25.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.366 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.84 -41.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.403 ' CB ' ' HG2' ' A' ' 522' ' ' LYS . 26.9 m-20 -130.9 73.98 80.46 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.01 -40.35 78.32 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.613 2.208 . . . . 0.0 112.172 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -62.34 -54.62 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.0 OUTLIER -68.49 -28.02 66.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -58.76 -34.03 70.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.36 57.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . 0.407 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 7.2 mt-30 -77.02 -27.25 54.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.994 HD11 HG11 ' A' ' 515' ' ' VAL . 28.2 pt -84.16 -12.31 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.615 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.559 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.08 -43.97 2.34 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.821 0.344 . . . . 0.0 111.617 179.605 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -76.54 -30.94 57.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.865 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -72.91 -46.83 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.529 179.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 512' ' ' PHE . 60.2 t -63.27 -32.86 57.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.619 ' HA ' HD12 ' A' ' 534' ' ' LEU . 2.1 mmt -61.82 -43.31 99.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.743 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.865 HG22 ' O ' ' A' ' 529' ' ' GLN . 6.0 t -66.67 -25.29 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.399 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.864 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.4 OUTLIER -62.81 -40.36 97.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.07 179.44 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -66.27 -54.83 20.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.253 179.3 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 8.5 ptm180 -62.35 -30.57 71.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 532' ' ' THR . 4.1 t -65.68 -35.7 75.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.5 OUTLIER -58.72 -49.87 81.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.232 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -78.05 -36.85 47.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.6 -56.27 17.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.925 0.393 . . . . 0.0 110.564 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -57.06 -33.04 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.408 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.95 ' HE2' HG22 ' A' ' 498' ' ' VAL . 5.1 ttm -58.46 -35.44 72.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.009 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -69.47 -32.61 71.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.374 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -64.57 -43.1 94.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.612 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.815 ' HA ' HD12 ' A' ' 547' ' ' LEU . 0.8 OUTLIER -62.94 -37.21 86.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.659 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.32 -37.83 75.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 22.5 t -64.89 -37.36 87.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.353 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.815 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.3 mt -59.5 -45.1 92.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -82.24 -28.89 31.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.318 179.844 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.906 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -59.61 -20.54 56.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.215 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . 0.413 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 83.4 m-20 -47.05 -29.12 1.97 Allowed 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.155 0.502 . . . . 0.0 109.978 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.28 75.12 0.35 Allowed Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.673 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 3.2 Cg_endo -46.78 -28.84 7.22 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.792 2.328 . . . . 0.0 112.364 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.36 -50.23 48.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.802 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 96.7 t -78.81 -44.47 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.636 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.808 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.95 -31.28 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.57 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -77.05 -53.24 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.062 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.46 -45.26 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.509 ' O ' HG23 ' A' ' 562' ' ' VAL . 2.5 pp -64.8 -36.73 78.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -61.75 -36.68 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -61.7 -54.15 46.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -73.39 -35.55 65.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.029 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 558' ' ' ILE . 18.0 t -64.62 -55.24 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.78 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -58.03 -28.06 64.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.64 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.568 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.1 mt-10 -80.78 -24.63 38.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 495' ' ' LYS . 0.0 OUTLIER -82.14 -36.65 27.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.77 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.751 HD22 HG11 ' A' ' 498' ' ' VAL . 3.4 mt -86.76 -21.57 26.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.568 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.3 pp0? -67.6 -59.58 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.003 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -27.98 29.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.93 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.884 0.373 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.69 -42.25 87.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.669 ' HA ' HD12 ' A' ' 465' ' ' LEU . 0.7 OUTLIER -52.54 -48.66 65.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.126 0.489 . . . . 0.0 110.616 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.21 72.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.792 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.1 mmm -66.9 -37.79 85.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.763 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 462' ' ' GLU . 5.9 mt -66.29 -34.52 78.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -70.0 -45.54 67.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -47.91 84.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.407 ' HA ' ' CD2' ' A' ' 471' ' ' LEU . 3.3 mtp-105 -58.15 -30.73 66.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.828 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -83.89 -48.31 10.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.772 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -50.2 74.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.714 HD12 HD22 ' A' ' 475' ' ' ASN . 1.1 pp -62.21 -39.31 92.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.648 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.23 -40.11 93.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.048 0.451 . . . . 0.0 110.173 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 497' ' ' TYR . 1.0 OUTLIER -71.18 -49.44 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.757 179.076 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.48 -26.0 68.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.422 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.714 HD22 HD12 ' A' ' 471' ' ' LEU . 5.4 m-80 -70.4 -49.67 46.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.398 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.63 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -67.63 -32.49 73.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.212 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.781 HD13 HD12 ' A' ' 480' ' ' LEU . 14.9 mm -61.06 -33.44 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.974 178.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 80.2 m -60.42 -45.84 92.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.889 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.635 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -64.06 -31.02 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.832 HD11 ' HB2' ' A' ' 548' ' ' LEU . 11.1 mt -58.57 -41.57 85.98 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.322 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 483' ' ' VAL . 92.5 mm-40 -84.45 -13.46 52.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.359 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -37.11 -55.72 0.94 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.91 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 481' ' ' GLN . 46.8 t 48.06 96.31 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.642 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.75 134.73 32.58 Favored 'Cis proline' 0 C--N 1.348 0.504 0 C-N-CA 123.574 -1.427 . . . . 0.0 112.022 0.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -83.23 155.23 14.53 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.492 2.128 . . . . 0.0 112.368 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.771 ' O ' HG13 ' A' ' 490' ' ' VAL . 1.0 OUTLIER -103.25 79.54 0.32 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.512 ' HA ' HG22 ' A' ' 490' ' ' VAL . 8.0 Cg_endo -49.83 -23.03 7.99 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.628 2.218 . . . . 0.0 112.21 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -87.89 -27.05 22.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.029 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.438 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.9 t-160 -86.54 -36.2 19.08 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.85 -37.71 80.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.486 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.774 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.29 -24.4 67.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.29 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 496' ' ' LYS . 2.3 t30 -69.52 -54.51 13.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.647 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.448 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -54.83 -26.84 37.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 498' ' ' VAL . 4.0 mm? -68.02 -49.14 63.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.232 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 5.3 ptmt -57.39 -29.75 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.988 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -83.76 -47.84 10.73 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.117 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -55.03 -39.01 68.69 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 494' ' ' LEU . 59.5 t -63.95 -41.81 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.296 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -27.82 61.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.45 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.79 -41.75 67.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.41 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.405 ' OE2' ' CE1' ' A' ' 497' ' ' TYR . 1.1 mt-10 -64.5 -48.32 75.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.026 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -54.53 -37.81 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.324 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.72 -33.3 70.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.109 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.65 -42.32 95.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.295 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.624 ' HA ' HD13 ' A' ' 537' ' ' ILE . 3.9 ttt-85 -59.98 -42.22 93.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.205 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.51 -29.91 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.328 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -66.2 -35.05 79.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.086 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.987 HG22 HG13 ' A' ' 530' ' ' VAL . 9.2 m -63.01 -44.27 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.43 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . . . . . . . . . 9.0 mp -55.98 -37.95 69.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.771 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -57.58 -49.21 77.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.732 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.813 ' O ' HG12 ' A' ' 515' ' ' VAL . 1.1 m-70 -57.82 -38.32 75.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.588 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.745 ' CD1' HG21 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -54.99 -51.39 66.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.549 179.674 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -75.71 -34.43 60.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.089 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -64.6 -58.51 6.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.925 HG11 ' CD1' ' A' ' 526' ' ' ILE . 14.6 p -60.48 -24.39 31.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -76.09 -23.39 54.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 31.1 mtm -84.84 -24.51 28.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.332 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.5 m -110.1 -41.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.427 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -126.91 80.26 71.39 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.72 -50.66 11.87 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.582 2.188 . . . . 0.0 112.359 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -51.49 69.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.786 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -40.57 80.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.802 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.426 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.23 -31.84 54.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -76.22 -30.27 57.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -74.64 -29.89 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.925 ' CD1' HG11 ' A' ' 515' ' ' VAL . 36.3 pt -85.33 -12.6 11.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.567 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.455 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.06 -44.06 2.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.788 0.328 . . . . 0.0 111.692 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.4 m -79.76 -30.08 40.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.206 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.682 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -75.34 -45.76 37.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.556 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.987 HG13 HG22 ' A' ' 508' ' ' THR . 63.8 t -62.79 -33.03 57.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.092 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.614 ' HA ' HD12 ' A' ' 534' ' ' LEU . 2.2 mmt -65.11 -52.86 52.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.448 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.1 t -58.56 -28.71 65.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.647 ' HB3' HG21 ' A' ' 508' ' ' THR . 0.1 OUTLIER -57.9 -46.1 85.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.436 179.561 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -64.09 -44.69 91.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.114 0.483 . . . . 0.0 109.809 179.121 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -58.37 -39.75 80.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.955 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.673 HG13 ' HG3' ' A' ' 540' ' ' ARG . 42.5 t -55.72 -40.5 61.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.708 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.624 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.65 -52.37 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.684 179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -75.89 -40.34 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.301 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.49 -55.75 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.973 0.416 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.673 ' HG3' HG13 ' A' ' 536' ' ' VAL . 1.7 mtt180 -57.38 -30.09 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.4 ' HB2' ' HE3' ' A' ' 541' ' ' MET . 35.6 ttm -60.32 -36.35 77.73 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . 0.643 ' HA ' HD12 ' A' ' 545' ' ' LEU . 4.0 m-80 -65.89 -35.04 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.878 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -57.91 -44.69 86.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.309 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.475 ' HB3' HD21 ' A' ' 473' ' ' LEU . 0.9 OUTLIER -57.4 -39.15 75.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.083 179.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 542' ' ' ASN . 40.0 mt -60.31 -28.56 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.591 179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.472 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 0.3 OUTLIER -69.01 -39.04 79.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 110.404 179.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 544' ' ' SER . 25.2 mt -60.57 -48.18 82.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.363 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -74.07 -31.51 62.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.45 179.175 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.904 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.3 OUTLIER -54.53 -23.99 18.83 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.859 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 89.1 m-20 -46.62 -29.2 1.73 Allowed 'General case' 0 C--N 1.339 0.109 0 CA-C-O 121.248 0.547 . . . . 0.0 109.561 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.1 t -107.23 74.5 0.4 Allowed Pre-proline 0 N--CA 1.456 -0.168 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.478 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 1.3 Cg_endo -45.16 -29.08 3.89 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.749 2.299 . . . . 0.0 112.558 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.44 -50.9 41.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.97 0.414 . . . . 0.0 110.966 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 551' ' ' VAL . 70.9 t -77.76 -40.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.619 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.904 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.88 -34.09 39.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.795 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -77.97 -50.21 12.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.669 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 554' ' ' VAL . 14.7 pt-20 -61.48 -40.25 93.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.38 -38.9 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.745 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -43.09 97.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.804 0.335 . . . . 0.0 110.958 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.62 -47.27 84.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.025 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.04 -39.42 42.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.504 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.912 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.0 t -62.15 -54.77 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.767 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 567' ' ' GLN . 1.8 m-20 -57.8 -35.22 70.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.386 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.514 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 63.9 mt-10 -71.39 -24.46 62.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.365 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.912 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -78.02 -32.89 51.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.837 -179.398 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.4 mt -86.82 -16.34 36.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.514 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 12.6 mt-30 -54.22 -45.96 72.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.928 0.394 . . . . 0.0 110.715 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -27.96 63.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.168 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.784 0.326 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 85.5 t -60.28 -43.51 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.22 -44.34 64.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.496 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.66 72.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.874 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -38.8 88.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.799 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 15.5 mt -66.97 -36.52 82.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -72.89 -40.71 65.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.75 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.13 -51.97 65.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.694 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 44.1 mtt180 -57.3 -31.13 65.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -82.44 -45.98 14.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.737 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -52.21 64.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.223 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.714 HD12 HD22 ' A' ' 475' ' ' ASN . 1.2 pp -62.79 -36.95 84.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -66.1 -40.61 90.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.026 0.441 . . . . 0.0 110.386 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 473' ' ' LEU . 1.2 tm? -72.6 -46.28 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.819 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.3 -27.0 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.505 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.714 HD22 HD12 ' A' ' 471' ' ' LEU . 5.8 m-80 -70.27 -47.85 59.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.496 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -64.99 -38.65 91.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.978 0.418 . . . . 0.0 110.087 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.548 HD13 HD12 ' A' ' 480' ' ' LEU . 17.4 mm -57.4 -34.08 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.379 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 98.1 m -59.15 -46.64 87.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.01 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.64 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -64.25 -29.79 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.291 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.2 mt -60.81 -42.72 98.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.172 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.711 ' O ' HG23 ' A' ' 483' ' ' VAL . 83.5 mm-40 -87.19 -13.13 44.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.468 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.443 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -32.15 -54.83 0.31 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.8 t 45.67 96.91 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.853 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' A' ' 485' ' ' PRO . 11.7 Cg_exo -71.12 132.35 23.86 Favored 'Cis proline' 0 C--N 1.349 0.567 0 C-N-CA 123.746 -1.356 . . . . 0.0 111.922 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 484' ' ' PRO . 4.1 Cg_exo -79.2 160.39 26.41 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.549 2.166 . . . . 0.0 112.185 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.747 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.4 OUTLIER -112.58 81.08 3.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -45.97 -27.51 4.29 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.739 2.292 . . . . 0.0 112.981 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . 0.483 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -90.32 -21.08 22.21 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.479 -179.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.483 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 10.1 t-160 -88.22 -37.77 15.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.1 m -62.92 -44.31 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.67 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.676 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -55.51 -28.57 55.45 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 120.914 0.388 . . . . 0.0 110.601 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 19.6 t30 -67.57 -51.21 53.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.742 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.496 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -55.64 -32.42 63.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.849 0.357 . . . . 0.0 110.779 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 498' ' ' VAL . 2.8 mm? -61.81 -51.77 66.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 496' ' ' LYS . 0.1 OUTLIER -55.68 -29.53 59.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.256 -179.525 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.436 ' CD ' ' HA ' ' A' ' 493' ' ' MET . 8.1 mtpt -74.28 -48.92 25.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.1 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.425 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -62.75 -33.66 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.708 179.394 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 494' ' ' LEU . 91.8 t -65.11 -50.64 73.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.41 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -28.15 20.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.612 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.48 76.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -44.21 90.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.209 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -58.94 -43.04 91.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.598 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 6.5 mtpp -60.84 -39.2 88.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.49 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -70.75 -34.08 71.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.427 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.526 ' HA ' HD13 ' A' ' 537' ' ' ILE . 13.6 ttt85 -58.85 -39.18 80.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.482 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -63.85 -32.64 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.607 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -38.57 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.437 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.402 HG21 ' HB2' ' A' ' 534' ' ' LEU . 31.8 m -61.85 -39.1 90.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.443 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.569 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -70.59 -39.73 73.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.34 179.615 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -72.6 -37.73 68.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.767 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.472 ' O ' HG12 ' A' ' 515' ' ' VAL . 5.9 m80 -59.78 -42.21 92.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.671 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.489 ' CE1' ' HA ' ' A' ' 527' ' ' ARG . 0.2 OUTLIER -59.08 -53.43 58.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -69.56 -28.89 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.233 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -67.91 -61.27 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.655 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.014 HG11 HD11 ' A' ' 526' ' ' ILE . 12.7 p -61.71 -21.36 25.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.683 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -28.49 62.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.878 0.371 . . . . 0.0 110.976 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . 0.406 ' CG ' ' N ' ' A' ' 518' ' ' VAL . 0.3 OUTLIER -79.36 -47.13 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 110.182 179.783 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 519' ' ' ASP . 13.7 m -79.52 -43.75 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.397 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 522' ' ' LYS . 14.4 m-20 -134.85 80.5 49.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.201 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.41 -53.17 5.02 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.343 2.029 . . . . 0.0 112.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -58.6 -49.53 77.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 519' ' ' ASP . 0.0 OUTLIER -62.47 -36.85 83.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.528 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -55.6 -31.67 62.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.404 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -76.96 -30.84 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -74.31 -27.0 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.014 HD11 HG11 ' A' ' 515' ' ' VAL . 25.6 pt -91.28 -11.99 9.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.653 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.489 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 13.9 mtp180 -41.17 -49.49 3.54 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.831 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -35.27 71.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.91 0.386 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.627 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -77.91 -50.71 11.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.195 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 512' ' ' PHE . 61.8 t -62.72 -30.81 50.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.094 179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 1.7 mmt -69.17 -50.68 45.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.691 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 529' ' ' GLN . 7.4 t -60.19 -31.73 70.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.883 0.373 . . . . 0.0 110.527 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.97 -42.59 94.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.255 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 534' ' ' LEU . 1.7 tm? -62.76 -44.05 97.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.032 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -61.19 -44.62 97.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.78 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.628 HG13 ' HG3' ' A' ' 540' ' ' ARG . 37.7 t -52.55 -40.32 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.691 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -55.47 -53.72 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.621 179.601 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . 0.433 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.67 -41.93 52.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.129 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -60.25 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.628 ' HG3' HG13 ' A' ' 536' ' ' VAL . 40.6 mtp85 -56.85 -36.78 70.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . . . . . . . . . 29.9 ttm -56.73 -35.02 68.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.24 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.22 -31.11 68.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.437 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.85 -39.98 94.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.408 ' HA ' HD12 ' A' ' 547' ' ' LEU . 2.9 t -61.43 -42.96 99.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.368 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 549' ' ' TYR . 18.2 mt -68.44 -25.77 65.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.773 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.436 ' HA ' ' HB3' ' A' ' 549' ' ' TYR . 31.8 t -76.91 -39.82 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.122 0.487 . . . . 0.0 110.192 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 544' ' ' SER . 37.7 mt -59.93 -36.26 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.382 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.65 -29.67 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.008 179.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.894 ' N ' HD13 ' A' ' 548' ' ' LEU . 0.0 OUTLIER -54.66 -24.15 20.49 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 178.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -46.79 -29.61 2.03 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.174 0.511 . . . . 0.0 109.923 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.461 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.1 t -104.83 77.13 0.32 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.792 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -46.69 -27.42 5.43 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.715 2.277 . . . . 0.0 112.405 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.74 -53.87 13.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.898 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.461 ' H ' HG12 ' A' ' 551' ' ' VAL . 78.0 t -75.32 -42.64 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.664 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.63 -34.99 40.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.593 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -73.69 -50.94 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.237 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.06 -44.63 94.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.6 pp -69.86 -38.5 75.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.523 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.506 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.0 mm-40 -60.5 -41.56 94.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.324 . . . . 0.0 111.147 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -50.33 74.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.203 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.67 -34.35 60.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.399 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.95 ' HA ' HD23 ' A' ' 565' ' ' LEU . 3.0 t -65.08 -56.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.66 -29.84 64.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.482 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 32.6 mt-10 -77.48 -23.2 50.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.212 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -80.83 -34.17 34.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.514 -179.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.442 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.5 mt -86.81 -17.67 32.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 1.7 pt20 -61.06 -52.98 62.65 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 120.634 -0.427 . . . . 0.0 111.139 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -59.94 -52.39 65.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.418 ' CG ' ' HA ' ' A' ' 566' ' ' LEU . 24.4 pt-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.032 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.661 0.267 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 71.3 t -56.54 -39.82 64.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -46.77 62.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 110.62 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.61 72.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.85 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 32.1 mtp -67.95 -42.84 80.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 29.4 mt -58.8 -40.4 83.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -65.24 -43.0 92.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.99 -48.36 80.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.709 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -58.04 -31.59 67.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.794 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -83.43 -46.16 12.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.716 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -50.75 72.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.529 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.689 HD12 HD22 ' A' ' 475' ' ' ASN . 1.8 pp -62.87 -39.92 95.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.582 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.26 -39.59 92.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.087 0.47 . . . . 0.0 110.136 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.77 HD23 ' CE2' ' A' ' 497' ' ' TYR . 0.2 OUTLIER -70.22 -52.75 20.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.652 178.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.82 -25.23 66.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.187 178.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.689 HD22 HD12 ' A' ' 471' ' ' LEU . 5.5 m-20 -68.49 -50.82 49.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.542 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.737 ' HE2' HD22 ' A' ' 473' ' ' LEU . 0.7 OUTLIER -70.23 -33.77 72.06 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 119.895 -0.722 . . . . 0.0 109.935 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.672 HD13 HD12 ' A' ' 480' ' ' LEU . 20.4 mm -60.07 -33.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.894 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 77.2 m -67.11 -46.45 74.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.671 179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 482' ' ' ALA . . . -62.95 -28.04 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.129 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.672 HD12 HD13 ' A' ' 477' ' ' ILE . 11.8 mt -59.68 -45.84 90.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.81 ' O ' HG23 ' A' ' 483' ' ' VAL . 7.8 mp0 -87.21 -11.73 48.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.578 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -29.22 -51.84 0.11 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 481' ' ' GLN . 62.7 t 47.04 95.57 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.512 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 71.0 Cg_endo -74.31 133.65 32.05 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.519 -1.45 . . . . 0.0 112.15 -0.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 78.6 Cg_endo -77.65 156.98 31.95 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.327 2.018 . . . . 0.0 112.245 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.924 ' O ' HG13 ' A' ' 490' ' ' VAL . 8.6 mtt85 -113.75 79.46 4.48 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.035 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.421 ' O ' HG22 ' A' ' 490' ' ' VAL . 75.2 Cg_exo -49.05 -28.59 14.11 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.45 2.1 . . . . 0.0 112.439 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -23.68 28.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.428 ' O ' ' CE ' ' A' ' 493' ' ' MET . 14.7 t-160 -87.75 -38.06 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.924 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.5 m -62.39 -36.36 74.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.712 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.529 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -58.39 -30.36 66.77 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.169 179.652 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -70.12 -45.92 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 475' ' ' ASN . 0.0 OUTLIER -59.29 -36.98 76.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.536 179.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 490' ' ' VAL . 4.0 mm? -58.2 -47.18 84.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.051 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.694 ' CD ' HD13 ' A' ' 565' ' ' LEU . 11.9 mtpt -49.34 -44.3 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.959 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 496' ' ' LYS . 0.3 OUTLIER -64.07 -47.06 81.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.812 -179.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.77 ' CE2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -66.74 -36.05 81.54 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 494' ' ' LEU . 75.5 t -70.21 -48.58 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.287 179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -24.36 65.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.286 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.13 -37.07 72.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.445 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.36 -47.78 82.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.016 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -54.99 -35.59 64.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.189 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -69.06 -24.81 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.441 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -78.73 -37.34 41.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.379 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.438 ' HA ' HD13 ' A' ' 537' ' ' ILE . 12.1 ttt180 -59.22 -54.83 42.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.056 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -29.24 67.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.984 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -68.47 -34.87 76.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.771 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.54 HG22 HG12 ' A' ' 530' ' ' VAL . 47.8 m -58.21 -42.44 86.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.163 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 0.9 OUTLIER -56.08 -53.7 53.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 179.168 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -56.67 -37.41 70.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.591 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.2 OUTLIER -57.36 -41.87 80.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.308 179.515 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.757 ' CD2' HG11 ' A' ' 530' ' ' VAL . 0.1 OUTLIER -54.07 -50.12 67.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.302 179.216 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.13 -32.86 61.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -57.37 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 0.0 110.418 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.994 HG11 HD11 ' A' ' 526' ' ' ILE . 11.8 p -62.32 -23.85 33.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.841 179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.76 -23.26 52.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 13.3 mtm -83.2 -27.2 30.17 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.153 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 2.7 m -107.46 -39.82 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.07 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.17 70.39 78.63 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.99 -49.67 16.53 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.522 2.148 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -53.25 59.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.716 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -62.14 -36.33 81.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.452 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -55.07 -32.82 62.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.45 -30.62 53.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -77.69 -24.99 49.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.994 HD11 HG11 ' A' ' 515' ' ' VAL . 31.0 pt -88.81 -8.07 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.878 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.544 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -41.55 -45.05 3.18 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.711 0.291 . . . . 0.0 111.537 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.5 m -71.78 -30.2 65.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.724 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.801 ' O ' HG22 ' A' ' 532' ' ' THR . 0.4 OUTLIER -73.01 -44.79 60.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.428 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.757 HG11 ' CD2' ' A' ' 512' ' ' PHE . 11.7 t -58.6 -32.97 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.22 0.533 . . . . 0.0 110.427 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.588 ' HA ' HD12 ' A' ' 534' ' ' LEU . 5.9 mmt -63.34 -55.65 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.436 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.0 t -54.6 -26.43 32.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.398 . . . . 0.0 110.278 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -50.79 72.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.196 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -59.61 -42.57 92.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.19 0.519 . . . . 0.0 109.945 179.144 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.419 ' H ' ' HG3' ' A' ' 535' ' ' ARG . 2.7 mtp-105 -61.6 -41.1 96.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.042 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 532' ' ' THR . 39.5 t -56.66 -38.32 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.588 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -55.84 -53.06 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.19 179.363 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -74.15 -46.73 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.936 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.71 -48.86 76.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.634 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.524 ' CG ' HG13 ' A' ' 536' ' ' VAL . 30.4 mmt-85 -59.23 -32.48 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.4 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.413 ' HA ' ' OH ' ' A' ' 497' ' ' TYR . 27.4 ttm -57.44 -37.02 72.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.027 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -68.44 -33.74 74.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.229 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -41.41 96.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.532 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.487 ' HB2' HD21 ' A' ' 473' ' ' LEU . 4.2 t -60.16 -44.02 95.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.409 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.434 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 51.1 mt -56.38 -31.78 64.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.797 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 2.3 m -70.6 -43.28 69.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.452 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.9 mt -60.7 -38.5 85.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.8 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.935 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -86.16 -29.64 23.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.212 179.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.908 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.0 OUTLIER -59.03 -20.82 56.71 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.746 0.308 . . . . 0.0 110.327 178.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -46.29 -29.64 1.72 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.962 0.41 . . . . 0.0 110.311 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.2 t -104.07 78.08 0.31 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.185 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -47.82 -27.39 8.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.608 2.205 . . . . 0.0 112.322 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 556' ' ' GLU . . . -71.17 -49.49 43.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.419 ' H ' HG12 ' A' ' 551' ' ' VAL . 91.9 t -81.56 -42.93 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.634 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -52.57 -36.15 55.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.93 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 553' ' ' ALA . 0.0 OUTLIER -75.48 -37.92 59.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.372 -179.509 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.67 -44.15 62.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.11 0.481 . . . . 0.0 110.145 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.488 HG21 HG21 ' A' ' 490' ' ' VAL . 2.6 pp -69.44 -35.59 67.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.2 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.433 ' N ' HD12 ' A' ' 558' ' ' ILE . 5.6 mm-40 -60.37 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.367 . . . . 0.0 110.926 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.55 -54.29 45.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.702 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.4 -35.8 71.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.289 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.529 HG23 ' HB2' ' A' ' 491' ' ' PHE . 3.1 t -63.69 -56.48 16.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.301 . . . . 0.0 110.348 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -50.87 -32.41 20.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.223 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 10.5 mt-10 -68.88 -26.58 65.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.237 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.694 HD13 ' CD ' ' A' ' 495' ' ' LYS . 0.5 OUTLIER -74.8 -38.42 62.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.864 0.364 . . . . 0.0 111.527 -179.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.2 mp -79.31 -16.87 55.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.532 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 13.8 mt-30 -56.06 -48.98 75.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.996 0.427 . . . . 0.0 110.632 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -84.03 -32.05 25.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.829 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.486 179.75 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 87.3 t -59.14 -43.88 90.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.73 -43.71 65.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.024 0.44 . . . . 0.0 110.535 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.02 71.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.687 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 5.0 mmm -67.26 -43.58 81.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.36 -34.8 79.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -74.17 -30.67 62.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.32 -58.45 6.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 3.0 ptm180 -57.25 -30.26 64.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.676 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.424 ' HG3' ' HG2' ' A' ' 501' ' ' GLU . 0.1 OUTLIER -78.35 -50.08 12.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.655 179.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -60.32 3.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.178 0.513 . . . . 0.0 110.246 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.668 HD12 ' ND2' ' A' ' 475' ' ' ASN . 0.4 OUTLIER -53.19 -32.39 47.68 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.643 179.691 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -68.93 -49.98 53.31 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.888 0.375 . . . . 0.0 110.628 179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 473' ' ' LEU . 0.1 OUTLIER -68.79 -38.55 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.975 179.365 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.23 -25.06 67.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.589 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.668 ' ND2' HD12 ' A' ' 471' ' ' LEU . 9.0 m-20 -69.62 -51.24 36.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.19 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.469 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.4 OUTLIER -63.84 -36.65 84.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.11 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 15.2 mm -57.02 -34.28 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.332 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 83.8 m -66.99 -46.45 74.53 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -61.08 -27.81 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.189 178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.869 HD11 ' HB2' ' A' ' 548' ' ' LEU . 10.8 mt -59.44 -50.95 71.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.408 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.667 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.3 mp0 -80.79 -12.79 59.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.759 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.63 -52.51 0.68 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.8 t 45.72 96.76 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.751 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.31 134.49 28.82 Favored 'Cis proline' 0 C--N 1.348 0.525 0 C-N-CA 123.538 -1.443 . . . . 0.0 112.006 -0.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 483' ' ' VAL . 93.4 Cg_endo -86.49 155.13 9.18 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.524 2.149 . . . . 0.0 112.493 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.906 ' O ' HG13 ' A' ' 490' ' ' VAL . 2.4 mtm-85 -105.7 76.38 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.62 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.472 ' HA ' HG22 ' A' ' 490' ' ' VAL . 10.2 Cg_endo -53.26 -23.91 24.9 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.645 2.23 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -25.93 27.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.422 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.433 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.4 t-160 -87.95 -35.96 17.36 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.906 HG13 ' O ' ' A' ' 486' ' ' ARG . 3.1 m -64.11 -34.96 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.502 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.484 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -60.65 -28.77 68.82 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.121 179.515 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.451 ' N ' ' CD1' ' A' ' 491' ' ' PHE . 6.7 t30 -68.66 -55.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.443 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.433 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -52.01 -28.73 18.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.605 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.851 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.9 mm? -63.48 -54.57 34.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.117 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 11.9 ptmt -55.2 -26.18 37.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 493' ' ' MET . 0.0 OUTLIER -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.005 179.228 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.402 ' OH ' ' HA ' ' A' ' 541' ' ' MET . 0.0 OUTLIER -59.26 -27.88 66.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.923 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 494' ' ' LEU . 75.1 t -73.09 -55.44 12.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.287 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.89 -28.16 9.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.958 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -71.92 -42.52 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.791 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.424 ' HG2' ' HG3' ' A' ' 469' ' ' ARG . 2.6 mt-10 -61.33 -44.83 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.493 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -55.9 -43.15 76.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.74 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.679 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.677 ' HA ' HD13 ' A' ' 537' ' ' ILE . 3.9 ttp180 -59.02 -39.59 82.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.666 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -31.96 73.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.58 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -32.43 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.492 HG21 ' HB3' ' A' ' 533' ' ' HIS . 91.2 m -67.15 -31.9 72.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.588 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -68.96 -40.04 79.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.202 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -59.55 -41.36 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.788 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.788 ' O ' HG12 ' A' ' 515' ' ' VAL . 8.5 m80 -60.01 -42.52 94.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.671 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.97 -47.83 61.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.971 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -81.54 -39.33 24.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 518' ' ' VAL . 2.5 t-160 -63.53 -55.64 22.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 526' ' ' ILE . 8.5 p -65.01 -28.49 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.264 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.53 -23.53 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.84 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 68.7 mtm -89.86 -15.35 32.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.286 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 514' ' ' HIS . 21.8 m -116.37 -46.2 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.815 0.341 . . . . 0.0 111.512 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 518' ' ' VAL . 29.1 m-20 -125.25 74.02 67.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.291 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.45 -31.66 88.19 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.645 2.23 . . . . 0.0 112.144 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.24 -57.08 10.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.554 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -75.05 -27.11 59.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 519' ' ' ASP . . . -55.08 -39.6 69.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.366 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.419 ' HA ' ' CD ' ' A' ' 527' ' ' ARG . . . -72.52 -31.01 64.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -76.23 -28.85 57.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.054 HD11 HG11 ' A' ' 515' ' ' VAL . 36.2 pt -85.43 -17.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.503 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 20.9 mtp180 -40.99 -52.37 3.14 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.666 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -36.06 77.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.896 0.379 . . . . 0.0 110.747 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.768 ' O ' HG22 ' A' ' 532' ' ' THR . 0.6 OUTLIER -74.58 -38.44 62.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.242 179.769 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 526' ' ' ILE . 21.9 t -69.62 -34.51 61.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.442 179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.617 ' HA ' HD12 ' A' ' 534' ' ' LEU . 9.8 mmt -64.28 -41.25 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.46 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 529' ' ' GLN . 11.5 t -68.49 -26.21 65.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.747 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -62.6 -39.85 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.302 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.3 OUTLIER -68.52 -53.96 19.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.184 179.344 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.517 ' CD ' ' HA ' ' A' ' 532' ' ' THR . 9.2 ptm180 -63.63 -29.53 70.76 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.235 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -64.25 -37.22 79.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.747 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -57.93 -53.16 49.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.99 179.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . 0.405 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.7 OUTLIER -72.9 -46.29 53.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.658 179.676 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -56.3 -47.46 78.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -58.1 -33.21 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.058 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.445 ' HB2' ' HE3' ' A' ' 541' ' ' MET . 21.5 ttm -58.25 -35.9 72.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.96 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . 0.522 ' HA ' HD12 ' A' ' 545' ' ' LEU . 18.4 m120 -69.27 -31.85 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.305 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.28 -43.52 97.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.624 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.602 ' HA ' HD12 ' A' ' 547' ' ' LEU . 1.5 t -61.32 -39.23 89.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 542' ' ' ASN . 48.0 mt -61.1 -29.67 69.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.679 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 0.7 OUTLIER -70.95 -34.27 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.613 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 544' ' ' SER . 27.7 mt -62.84 -37.32 86.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -87.49 -33.12 19.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.047 179.483 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.943 ' N ' HD13 ' A' ' 548' ' ' LEU . 3.3 m-85 -53.52 -23.99 12.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 81.2 m-20 -48.05 -28.59 2.92 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.108 0.48 . . . . 0.0 110.061 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 3.3 t -105.16 76.41 0.31 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.899 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 4.0 Cg_endo -47.48 -28.5 8.83 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.31 -48.55 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 85.3 t -82.92 -42.05 17.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.111 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.865 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.88 -36.24 47.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.108 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -74.77 -42.04 58.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.88 -42.86 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.115 0.483 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.427 HD11 HD11 ' A' ' 548' ' ' LEU . 2.3 pp -71.44 -36.17 59.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.749 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -63.71 -45.89 87.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.807 0.337 . . . . 0.0 111.133 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.65 -44.67 85.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.84 -41.28 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.199 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.836 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.7 t -61.29 -53.76 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.696 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.99 -34.84 70.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 30.7 mt-10 -70.29 -24.37 63.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.3 OUTLIER -75.95 -35.24 59.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.909 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.8 mp -86.7 -16.2 37.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -178.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.533 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 14.7 mt-30 -52.97 -47.1 68.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -77.66 -32.78 53.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.635 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.616 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 120.915 0.388 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.47 -45.06 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.051 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.6 ' HA ' HD12 ' A' ' 465' ' ' LEU . 5.9 mt-10 -51.97 -44.04 63.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.049 0.452 . . . . 0.0 110.498 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.5 71.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.648 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.1 mmm -67.26 -36.27 81.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.695 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 462' ' ' GLU . 4.0 mt -64.84 -45.28 86.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.767 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -62.53 -36.06 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.38 -48.46 75.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -57.07 -34.93 68.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -82.28 -45.12 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.668 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -52.89 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.353 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.705 HD12 HD22 ' A' ' 475' ' ' ASN . 1.3 pp -61.17 -39.77 91.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.602 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 497' ' ' TYR . . . -65.73 -40.52 92.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.037 0.446 . . . . 0.0 110.184 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 544' ' ' SER . 0.6 OUTLIER -70.07 -50.93 36.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.812 179.078 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.1 -26.75 68.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.632 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.705 HD22 HD12 ' A' ' 471' ' ' LEU . 8.2 m-20 -71.08 -49.11 48.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.383 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.679 ' CD2' HD21 ' A' ' 494' ' ' LEU . 0.2 OUTLIER -69.62 -30.57 68.32 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.226 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.855 HD13 HD12 ' A' ' 480' ' ' LEU . 19.2 mm -63.48 -33.64 62.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.031 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 66.9 m -60.84 -45.22 95.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -66.42 -26.05 67.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.855 HD12 HD13 ' A' ' 477' ' ' ILE . 9.9 mt -64.45 -41.74 96.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.26 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 483' ' ' VAL . 72.6 mm-40 -84.5 -13.93 50.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.701 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 485' ' ' PRO . . . -36.89 -55.5 0.9 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 481' ' ' GLN . 44.0 t 44.82 95.75 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.903 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.46 134.54 27.27 Favored 'Cis proline' 0 C--N 1.348 0.512 0 C-N-CA 123.527 -1.447 . . . . 0.0 112.0 -0.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 85.1 Cg_endo -82.76 167.62 14.59 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.38 2.053 . . . . 0.0 112.355 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.599 ' O ' HG13 ' A' ' 490' ' ' VAL . 29.3 mtt180 -112.11 78.11 2.3 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.994 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.434 ' O ' HG22 ' A' ' 558' ' ' ILE . 84.5 Cg_exo -46.29 -27.26 4.59 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.475 2.117 . . . . 0.0 112.721 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -88.4 -21.87 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.578 -179.731 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.487 ' N ' ' HD3' ' A' ' 488' ' ' ARG . 2.4 t-160 -88.14 -37.79 15.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.749 ' O ' HD23 ' A' ' 494' ' ' LEU . 5.9 m -64.27 -39.26 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.866 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.805 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -63.54 -27.3 69.16 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.482 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' A' ' 496' ' ' LYS . 11.8 t30 -65.26 -59.56 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.726 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.432 ' HB3' ' HB3' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -51.72 -29.67 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.943 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.802 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.9 mm? -62.3 -49.55 75.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 492' ' ' ASN . 6.8 ptmt -60.46 -29.24 68.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.701 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -79.96 -44.52 20.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.031 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.55 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -62.73 -35.31 79.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.521 179.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 494' ' ' LEU . 77.3 t -67.05 -47.85 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.398 179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -26.06 61.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.611 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.87 -40.26 72.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.655 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.09 -42.78 99.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.1 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -57.41 -35.73 70.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.456 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.97 -38.44 88.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.16 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -73.76 -39.13 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.335 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.598 ' HA ' HD13 ' A' ' 537' ' ' ILE . 14.6 ttm180 -59.9 -54.35 47.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.244 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -61.26 -27.81 68.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -35.83 79.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.195 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.0 m -60.19 -48.2 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.097 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 509' ' ' LEU . 1.0 OUTLIER -56.96 -52.13 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.496 179.29 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -59.24 -43.24 92.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.043 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.567 ' O ' HG12 ' A' ' 515' ' ' VAL . 0.2 OUTLIER -57.17 -45.24 83.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.866 0.365 . . . . 0.0 110.76 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.553 ' CD1' HG11 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -56.87 -46.41 81.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.056 179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -45.42 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . 0.412 ' O ' HG22 ' A' ' 518' ' ' VAL . 0.3 OUTLIER -57.91 -52.0 67.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.06 HG11 HD11 ' A' ' 526' ' ' ILE . 10.3 p -62.97 -24.21 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.206 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 512' ' ' PHE . 12.4 ttm105 -76.36 -23.25 54.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.181 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 10.9 mtp -87.27 -21.4 25.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.407 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 519' ' ' ASP . 14.2 m -114.14 -44.67 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 111.504 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.42 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.2 m-20 -122.65 77.64 47.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.45 -55.29 2.22 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.555 2.17 . . . . 0.0 112.052 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.92 -50.85 71.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.635 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -39.08 80.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.65 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.521 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -56.46 -29.76 62.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.274 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.17 60.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.689 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -40.09 51.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.107 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.06 HD11 HG11 ' A' ' 515' ' ' VAL . 38.7 pt -71.92 -17.73 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.587 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.497 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 3.8 mtp180 -40.66 -45.68 2.42 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 57.8 m -73.14 -32.55 64.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.59 ' O ' HG22 ' A' ' 532' ' ' THR . 1.0 OUTLIER -78.68 -50.19 11.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.432 -179.732 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.553 HG11 ' CD1' ' A' ' 512' ' ' PHE . 39.3 t -61.02 -31.18 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.2 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . . . . . . . . . 10.6 mmt -68.46 -52.27 34.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.499 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 536' ' ' VAL . 11.9 t -61.21 -32.85 72.62 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.987 0.422 . . . . 0.0 110.217 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.555 ' O ' HD12 ' A' ' 537' ' ' ILE . 2.3 t60 -58.56 -39.47 80.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.312 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.54 HD21 ' HG2' ' A' ' 505' ' ' ARG . 1.0 OUTLIER -67.73 -48.57 66.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.189 179.356 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.46 -36.77 81.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 532' ' ' THR . 45.8 t -58.59 -39.74 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.364 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.598 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.4 OUTLIER -54.76 -54.46 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.933 0.397 . . . . 0.0 110.35 179.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . 0.44 ' N ' HG22 ' A' ' 537' ' ' ILE . 0.1 OUTLIER -75.07 -43.28 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.096 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -58.99 -54.7 44.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.506 ' CG ' HG13 ' A' ' 536' ' ' VAL . 14.0 mmm180 -54.73 -37.5 65.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.688 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.651 ' HE1' HG22 ' A' ' 498' ' ' VAL . 7.7 ttm -56.08 -35.06 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -71.37 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.639 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -70.1 -41.44 74.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.911 ' HA ' HD12 ' A' ' 547' ' ' LEU . 5.5 m -60.41 -37.59 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.676 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.77 -53.86 50.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.455 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 1.7 m -50.36 -34.8 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.42 . . . . 0.0 111.093 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.911 HD12 ' HA ' ' A' ' 544' ' ' SER . 22.3 mt -62.51 -41.85 99.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.646 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.928 HD13 ' N ' ' A' ' 549' ' ' TYR . 0.0 OUTLIER -83.64 -31.74 26.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.982 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.928 ' N ' HD13 ' A' ' 548' ' ' LEU . 5.1 m-85 -55.95 -22.75 28.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.205 179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -47.53 -29.46 2.82 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.105 0.479 . . . . 0.0 109.913 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 554' ' ' VAL . 4.0 t -104.72 77.68 0.33 Allowed Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.914 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.32 -28.29 5.67 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.778 2.319 . . . . 0.0 112.467 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -70.87 -54.13 12.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.454 ' H ' HG12 ' A' ' 551' ' ' VAL . 84.4 t -75.07 -43.21 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.875 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.55 -36.43 45.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.735 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -74.2 -50.13 20.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.505 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 559' ' ' GLN . 2.5 pp -71.52 -39.58 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.85 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.488 ' N ' HD12 ' A' ' 558' ' ' ILE . 8.9 mm-40 -60.71 -41.96 96.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 111.309 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.47 -50.99 71.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.74 -33.75 62.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.561 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.95 ' HA ' HD23 ' A' ' 565' ' ' LEU . 2.6 t -63.18 -53.92 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.153 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.98 -34.87 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.9 0.381 . . . . 0.0 110.565 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.474 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 3.0 mm-40 -73.33 -24.61 60.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.376 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.95 HD23 ' HA ' ' A' ' 562' ' ' VAL . 0.2 OUTLIER -80.0 -31.5 39.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.495 -179.407 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.421 ' N ' ' HG ' ' A' ' 565' ' ' LEU . 1.6 mt -86.75 -17.01 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 22.6 mt-30 -49.88 -41.02 44.69 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.085 0.469 . . . . 0.0 110.569 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.52 -32.4 50.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.897 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . 0.494 HG11 ' CE1' ' A' ' 507' ' ' HIS . 73.4 t -57.72 -42.34 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -51.13 -44.61 61.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.079 0.466 . . . . 0.0 110.674 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.17 -31.55 72.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.771 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 30.1 mtp -64.98 -41.85 95.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.752 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.94 -32.24 73.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -70.28 -40.94 74.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -53.32 51.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -59.74 -26.15 65.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 3.3 ttp85 -87.5 -37.95 16.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.806 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -48.83 58.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.685 HD12 HD22 ' A' ' 475' ' ' ASN . 1.8 pp -65.61 -36.71 84.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.402 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -65.34 -37.25 86.48 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 110.354 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.832 HD23 ' CD2' ' A' ' 497' ' ' TYR . 0.5 OUTLIER -75.39 -45.54 38.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.928 179.148 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -28.13 68.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.666 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.685 HD22 HD12 ' A' ' 471' ' ' LEU . 8.9 m-20 -71.03 -44.78 65.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.62 ' CD1' HD21 ' A' ' 494' ' ' LEU . 0.1 OUTLIER -67.37 -37.82 83.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.97 0.414 . . . . 0.0 110.131 179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.566 HD13 HD12 ' A' ' 480' ' ' LEU . 16.5 mm -57.32 -34.25 45.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.371 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 94.2 m -58.44 -46.67 86.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.982 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.522 ' HB3' HG12 ' A' ' 490' ' ' VAL . . . -63.76 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.31 179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.731 HD11 ' HB2' ' A' ' 548' ' ' LEU . 7.2 mt -60.0 -42.83 95.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.201 179.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' ' 483' ' ' VAL . 86.4 mm-40 -85.28 -13.14 50.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.42 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -35.54 -55.45 0.68 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.929 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 481' ' ' GLN . 47.7 t 47.04 96.59 0.04 OUTLIER Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.58 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 59.3 Cg_endo -71.96 134.97 35.77 Favored 'Cis proline' 0 C--N 1.348 0.541 0 C-N-CA 123.425 -1.49 . . . . 0.0 112.296 0.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -82.09 152.81 16.5 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.591 2.194 . . . . 0.0 112.48 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.69 ' O ' HG13 ' A' ' 490' ' ' VAL . 0.0 OUTLIER -102.57 81.18 0.36 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.808 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.442 ' HA ' HG22 ' A' ' 490' ' ' VAL . 6.2 Cg_endo -48.29 -25.96 7.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.764 2.31 . . . . 0.0 112.305 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 489' ' ' HIS . 0.1 OUTLIER -86.54 -24.45 25.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.167 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.466 ' O ' ' CE ' ' A' ' 493' ' ' MET . 2.2 t-160 -87.5 -36.09 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.2 m -65.97 -36.84 78.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.858 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.674 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -62.18 -22.93 66.3 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.292 179.527 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 20.9 t30 -73.51 -53.96 9.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.532 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 489' ' ' HIS . 0.0 OUTLIER -55.75 -30.75 61.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.627 179.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.7 mm? -63.4 -50.18 70.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.412 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.681 ' HB2' HD11 ' A' ' 565' ' ' LEU . 10.0 ptmt -59.27 -30.62 68.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 492' ' ' ASN . 0.0 OUTLIER -73.67 -44.54 56.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 0.0 110.344 179.598 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.832 ' CD2' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -66.52 -33.47 75.76 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.177 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 494' ' ' LEU . 85.2 t -66.01 -50.8 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.411 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.66 -28.03 30.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.645 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -69.19 -41.51 77.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.764 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.4 ' HG3' ' HA ' ' A' ' 498' ' ' VAL . 1.0 OUTLIER -61.55 -45.55 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.588 179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -54.56 -45.29 73.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.749 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -32.0 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.619 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -68.19 -44.28 76.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.716 ' HA ' HD13 ' A' ' 537' ' ' ILE . 45.6 ttt180 -56.78 -48.77 77.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.668 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -67.43 -29.15 68.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.563 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . 0.494 ' CE1' HG11 ' A' ' 461' ' ' VAL . 0.1 OUTLIER -69.92 -40.86 75.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.197 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 1.008 HG22 HG13 ' A' ' 530' ' ' VAL . 2.3 m -58.1 -38.16 75.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.492 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 505' ' ' ARG . 0.3 OUTLIER -57.8 -52.94 63.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.554 179.624 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -35.02 75.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -28.57 67.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.344 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.742 ' HB2' HG11 ' A' ' 530' ' ' VAL . 0.1 OUTLIER -84.65 -40.97 16.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 0.0 110.142 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.16 -43.81 64.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.104 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.524 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.617 HG21 ' HD2' ' A' ' 522' ' ' LYS . 12.7 p -63.52 -22.97 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . 0.428 ' HA ' ' CB ' ' A' ' 523' ' ' ALA . 48.5 ttt180 -72.75 -24.07 60.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 5.1 mtp -87.73 -24.45 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.83 -41.0 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.675 0.274 . . . . 0.0 111.57 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.39 71.79 80.11 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -62.79 -23.07 74.37 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.193 . . . . 0.0 112.383 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -64.47 -56.56 13.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.283 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.617 ' HD2' HG21 ' A' ' 515' ' ' VAL . 0.0 OUTLIER -82.08 -29.28 31.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.018 -179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.467 ' HA ' HG12 ' A' ' 526' ' ' ILE . . . -54.55 -37.14 65.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -73.9 -32.32 63.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -75.87 -28.84 58.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.602 HD11 HG11 ' A' ' 515' ' ' VAL . 38.0 pt -84.59 -9.96 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.677 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.77 -44.96 6.99 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.838 0.352 . . . . 0.0 111.227 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 66.5 m -72.85 -30.74 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.782 ' O ' HG22 ' A' ' 532' ' ' THR . 0.5 OUTLIER -73.36 -45.63 53.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.391 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 1.008 HG13 HG22 ' A' ' 508' ' ' THR . 96.5 t -63.52 -33.98 64.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 0.0 110.136 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.429 ' HA ' ' CD1' ' A' ' 534' ' ' LEU . 4.0 mmt -61.15 -47.83 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.593 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 529' ' ' GLN . 11.9 t -64.57 -24.09 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.916 0.389 . . . . 0.0 110.238 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.93 ' HB3' HG21 ' A' ' 508' ' ' THR . 1.0 OUTLIER -62.81 -38.62 91.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -64.94 -57.72 8.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.172 0.51 . . . . 0.0 109.816 179.013 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 532' ' ' THR . 10.2 ptm180 -61.07 -29.17 69.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.136 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 532' ' ' THR . 2.5 t -66.2 -38.2 81.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.051 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 533' ' ' HIS . 0.4 OUTLIER -55.93 -52.59 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.971 179.195 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -74.31 -46.44 41.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -54.81 -46.52 74.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.678 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -57.61 -40.26 78.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.661 ' HE1' HG13 ' A' ' 498' ' ' VAL . 14.7 ttm -53.21 -35.55 60.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.422 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -33.23 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.403 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -63.85 -36.73 84.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.71 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.583 ' OG ' HD21 ' A' ' 473' ' ' LEU . 10.2 t -65.65 -41.32 92.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.702 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.406 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 27.7 mt -61.89 -28.35 69.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.408 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 24.7 p -71.62 -39.97 70.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.075 0.465 . . . . 0.0 110.528 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 544' ' ' SER . 21.9 mt -63.21 -35.77 81.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.467 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -86.94 -31.74 20.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.774 179.34 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.904 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.3 m-85 -55.99 -22.83 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.09 178.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -47.2 -29.49 2.38 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.105 0.479 . . . . 0.0 109.91 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.8 t -104.58 77.86 0.33 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.792 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -46.35 -27.62 5.05 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.836 2.358 . . . . 0.0 112.506 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.9 -54.01 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 551' ' ' VAL . 92.5 t -75.0 -43.68 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.767 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.849 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.4 -37.85 50.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.763 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.97 -50.23 30.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.443 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -62.52 -44.74 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.541 HG21 HG21 ' A' ' 490' ' ' VAL . 2.4 pp -70.37 -36.11 65.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.735 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -61.68 -43.98 97.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.817 0.342 . . . . 0.0 111.072 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.69 -48.38 81.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.034 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . 0.403 ' OE1' ' CD2' ' A' ' 491' ' ' PHE . 16.9 pt-20 -76.77 -38.07 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.515 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.8 t -62.43 -56.15 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.88 0.371 . . . . 0.0 110.651 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.37 -34.31 66.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.615 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.528 ' HA ' ' HG3' ' A' ' 567' ' ' GLN . 57.7 mt-10 -71.15 -23.73 62.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.323 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.681 HD11 ' HB2' ' A' ' 495' ' ' LYS . 0.2 OUTLIER -79.29 -32.35 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.54 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.718 ' CD2' HG11 ' A' ' 498' ' ' VAL . 1.3 mt -86.54 -16.39 37.02 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.528 ' HG3' ' HA ' ' A' ' 564' ' ' GLU . 25.9 mt-30 -53.77 -46.33 70.95 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.951 0.405 . . . . 0.0 110.655 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -60.01 -51.73 68.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . 0.403 ' OE2' HD12 ' A' ' 565' ' ' LEU . 1.4 pt-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.942 0.401 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 73.9 t -55.46 -42.43 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.577 ' HA ' HD12 ' A' ' 465' ' ' LEU . 8.2 mt-10 -52.49 -44.61 65.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 110.552 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -62.8 -30.91 71.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.77 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 4.6 mmm -68.29 -39.08 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 462' ' ' GLU . 11.7 mt -62.49 -33.78 75.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -74.7 -34.97 62.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -55.59 16.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.633 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' ' 472' ' ' ALA . 7.1 ptm180 -58.37 -27.14 63.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.785 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -85.64 -40.19 16.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -54.9 22.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.959 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.654 HD12 HD22 ' A' ' 475' ' ' ASN . 1.8 pp -61.36 -35.83 78.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.274 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 468' ' ' ARG . . . -63.45 -42.18 98.64 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.042 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.855 HD23 ' CD1' ' A' ' 497' ' ' TYR . 0.6 OUTLIER -69.25 -46.62 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.907 179.165 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -27.45 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.5 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.654 HD22 HD12 ' A' ' 471' ' ' LEU . 8.8 m-80 -70.9 -48.56 53.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.247 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -65.72 -30.46 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.727 0.298 . . . . 0.0 110.527 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.578 ' O ' ' HB2' ' A' ' 480' ' ' LEU . 16.6 mm -64.99 -34.32 69.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.417 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 92.5 m -62.86 -46.8 86.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.919 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.621 ' HB1' HG12 ' A' ' 490' ' ' VAL . . . -61.46 -29.72 70.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.253 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 477' ' ' ILE . 8.1 mt -59.01 -46.52 88.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.377 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.809 ' O ' HG23 ' A' ' 483' ' ' VAL . 6.7 mp0 -85.93 -10.88 54.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.48 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 481' ' ' GLN . . . -28.39 -51.6 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 481' ' ' GLN . 52.7 t 43.27 97.49 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.886 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 8.1 Cg_exo -72.41 134.54 34.62 Favored 'Cis proline' 0 C--N 1.347 0.461 0 C-N-CA 123.753 -1.353 . . . . 0.0 112.052 -0.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -80.76 153.89 20.05 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.256 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.76 ' O ' HG13 ' A' ' 490' ' ' VAL . 15.6 mtt180 -112.72 79.67 3.38 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.494 ' HA ' HG22 ' A' ' 490' ' ' VAL . 86.0 Cg_exo -45.87 -25.44 2.67 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.819 2.346 . . . . 0.0 112.985 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.69 -27.18 22.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.72 0.295 . . . . 0.0 111.309 -179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.412 ' O ' ' CE ' ' A' ' 493' ' ' MET . 3.8 t-160 -86.53 -36.88 18.69 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 486' ' ' ARG . 4.0 m -63.6 -39.22 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.627 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.515 ' HB2' HG23 ' A' ' 562' ' ' VAL . 0.0 OUTLIER -57.37 -28.89 63.59 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 120.887 0.375 . . . . 0.0 110.168 179.476 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.45 -45.25 69.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.36 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.441 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -58.14 -36.37 72.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.482 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.812 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.5 mm? -58.64 -46.2 87.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 109.971 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.683 ' CD ' HD13 ' A' ' 565' ' ' LEU . 13.1 mtpt -49.48 -46.05 47.64 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.913 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -48.84 79.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.763 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.855 ' CD1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -67.91 -31.57 71.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 109.983 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 494' ' ' LEU . 86.8 t -73.02 -46.53 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.617 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -24.53 61.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.496 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -74.48 -41.85 60.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.693 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.407 ' OE2' ' CZ ' ' A' ' 497' ' ' TYR . 1.8 mt-10 -60.08 -50.08 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.402 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -53.26 -40.71 64.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.571 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -29.71 70.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.459 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . 0.588 ' HB3' HD11 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -62.66 -42.45 99.62 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.752 179.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.644 ' HD3' HG21 ' A' ' 537' ' ' ILE . 22.4 mtm105 -58.42 -50.73 72.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.173 0.511 . . . . 0.0 110.085 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -56.42 -26.75 54.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.602 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -32.98 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.379 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.521 ' CG2' HG13 ' A' ' 530' ' ' VAL . 91.0 m -63.53 -53.4 52.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 509' ' ' LEU . 8.7 mp -57.7 -38.6 75.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.642 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.61 -44.76 93.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.688 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.759 ' O ' HG12 ' A' ' 515' ' ' VAL . 3.7 m-70 -59.19 -44.75 92.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.783 ' HD1' HG21 ' A' ' 530' ' ' VAL . 0.0 OUTLIER -51.42 -46.5 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.824 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -78.17 -44.89 24.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.318 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . 0.517 ' HA ' ' HE3' ' A' ' 517' ' ' MET . 2.3 t-80 -60.7 -53.67 54.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.862 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 0.77 HG11 ' CD1' ' A' ' 526' ' ' ILE . 9.2 p -61.52 -29.01 45.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -68.37 -23.59 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . 0.517 ' HE3' ' HA ' ' A' ' 514' ' ' HIS . 1.0 OUTLIER -87.02 -48.45 8.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 110.452 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 519' ' ' ASP . 18.9 m -77.05 -46.02 29.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.392 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 518' ' ' VAL . 1.9 t0 -129.15 79.36 74.53 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.17 -46.93 29.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.607 2.205 . . . . 0.0 112.377 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -59.69 -53.3 59.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . 0.414 ' HA ' ' HG3' ' A' ' 525' ' ' GLN . 0.0 OUTLIER -58.96 -39.31 81.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 515' ' ' VAL . . . -54.79 -32.95 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . . . . . . . . . . . -77.53 -31.16 53.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . 0.414 ' HG3' ' HA ' ' A' ' 522' ' ' LYS . 5.4 mt-30 -75.81 -23.88 55.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.77 ' CD1' HG11 ' A' ' 515' ' ' VAL . 38.9 pt -88.39 -6.58 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.748 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.451 ' HA ' ' CE1' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -40.88 -45.61 2.56 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.841 0.353 . . . . 0.0 111.449 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -32.27 40.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.776 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -70.12 -46.3 65.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.783 HG21 ' HD1' ' A' ' 512' ' ' PHE . 63.7 t -62.87 -35.18 69.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.273 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.588 ' HA ' HD12 ' A' ' 534' ' ' LEU . 11.2 mmt -63.26 -49.73 72.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.48 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.776 HG22 ' O ' ' A' ' 529' ' ' GLN . 12.6 t -60.37 -25.31 65.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.051 0.453 . . . . 0.0 110.197 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.576 ' O ' HD12 ' A' ' 537' ' ' ILE . 0.2 OUTLIER -59.53 -49.24 78.53 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.3 179.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.5 OUTLIER -60.4 -44.32 95.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.105 0.479 . . . . 0.0 110.178 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.31 -40.63 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 532' ' ' THR . 17.6 t -55.84 -39.01 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.715 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.644 HG21 ' HD3' ' A' ' 505' ' ' ARG . 0.9 OUTLIER -56.52 -56.47 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 179.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.83 -36.71 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.375 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.37 -53.96 47.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -57.74 -32.98 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.431 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.408 ' HA ' ' HH ' ' A' ' 497' ' ' TYR . 28.0 ttm -58.77 -35.35 72.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.169 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 545' ' ' LEU . 25.4 m-20 -71.32 -30.33 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.414 179.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.86 -35.33 80.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.743 ' HA ' HD12 ' A' ' 547' ' ' LEU . 32.8 t -68.1 -42.02 80.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.78 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 542' ' ' ASN . 16.7 mt -59.04 -31.74 69.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.59 -37.94 62.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.125 0.488 . . . . 0.0 110.363 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 544' ' ' SER . 17.5 mt -63.23 -35.69 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.322 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.92 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.56 -32.25 19.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.036 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.916 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.2 m-85 -55.77 -22.96 26.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.165 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . 0.41 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 89.6 m-20 -47.49 -29.0 2.44 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.095 0.474 . . . . 0.0 110.172 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 554' ' ' VAL . 3.4 t -105.55 75.85 0.32 Allowed Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.854 178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . 0.41 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 3.7 Cg_endo -46.96 -28.29 6.94 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 556' ' ' GLU . . . -69.38 -48.06 62.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.041 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 551' ' ' VAL . 88.4 t -83.36 -42.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.077 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.868 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -51.46 -36.38 43.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.932 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 553' ' ' ALA . 17.6 pt-20 -74.4 -47.96 30.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.363 -179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.6 -46.9 86.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.46 . . . . 0.0 110.546 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.445 HG21 HG21 ' A' ' 490' ' ' VAL . 2.3 pp -67.34 -36.57 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.612 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.39 -37.93 79.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.753 0.311 . . . . 0.0 111.138 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.81 -54.72 30.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.81 -31.96 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.409 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.515 HG23 ' HB2' ' A' ' 491' ' ' PHE . 2.7 t -65.23 -57.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.361 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -51.21 -33.58 28.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.0 110.193 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 13.4 mt-10 -67.18 -27.23 67.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.092 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.683 HD13 ' CD ' ' A' ' 495' ' ' LYS . 0.5 OUTLIER -73.92 -36.55 64.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.587 -179.532 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 562' ' ' VAL . 1.3 mp -82.18 -15.51 52.96 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 5.0 mm-40 -52.4 -46.71 66.4 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.149 0.499 . . . . 0.0 110.476 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -42.81 70.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.984 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.784 0.326 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' VAL . . . . . . . . . . . . . 77.1 t -54.28 -41.0 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.38 -45.05 62.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.007 0.432 . . . . 0.0 110.284 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.03 -31.82 73.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.558 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 17.0 mtp -71.93 -50.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' LEU . . . . . . . . . . . . . 22.4 mt -55.02 -34.43 63.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.445 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 470' ' ' ARG . 0.7 OUTLIER -59.22 -53.01 63.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.267 179.396 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' ASP . . . . . 0.424 ' O ' HD23 ' A' ' 471' ' ' LEU . 3.2 t0 -53.95 -31.76 51.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -63.5 -35.79 81.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' A' ' 497' ' ' TYR . 30.4 ttm180 -80.21 -44.1 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.26 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 466' ' ' ASN . 4.0 mtt-85 -61.27 -53.67 53.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.165 0.507 . . . . 0.0 110.362 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' LEU . . . . . 0.748 HD12 HD22 ' A' ' 475' ' ' ASN . 0.6 OUTLIER -60.48 -39.29 87.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.903 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.428 ' N ' ' HG ' ' A' ' 471' ' ' LEU . . . -70.04 -35.82 74.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.918 0.39 . . . . 0.0 110.451 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.673 HD23 ' CE1' ' A' ' 497' ' ' TYR . 0.4 OUTLIER -74.89 -47.91 27.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.864 179.246 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.42 -26.78 68.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.555 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' ASN . . . . . 0.748 HD22 HD12 ' A' ' 471' ' ' LEU . 7.1 m-20 -70.15 -47.07 63.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' TYR . . . . . 0.449 ' CB ' ' HB3' ' A' ' 493' ' ' MET . 0.1 OUTLIER -69.07 -37.5 78.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.001 0.429 . . . . 0.0 109.934 179.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.623 HD13 HD12 ' A' ' 480' ' ' LEU . 20.0 mm -59.07 -33.51 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.305 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 87.4 m -61.4 -46.31 90.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.932 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.772 ' CB ' HG12 ' A' ' 490' ' ' VAL . . . -62.59 -29.27 70.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.216 178.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' LEU . . . . . 0.623 HD12 HD13 ' A' ' 477' ' ' ILE . 9.2 mt -61.08 -50.9 71.42 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.363 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' GLN . . . . . 0.817 ' O ' HG23 ' A' ' 483' ' ' VAL . 9.0 mp0 -87.15 -11.36 50.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.579 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 479' ' ' ALA . . . -29.47 -51.38 0.11 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 481' ' ' GLN . 59.0 t 46.99 95.36 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.47 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 483' ' ' VAL . 59.7 Cg_endo -72.13 134.28 33.01 Favored 'Cis proline' 0 C--N 1.348 0.53 0 C-N-CA 123.44 -1.483 . . . . 0.0 112.188 -0.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 482' ' ' ALA . 89.3 Cg_endo -83.19 157.03 14.94 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.479 2.119 . . . . 0.0 112.354 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.907 ' O ' HG13 ' A' ' 490' ' ' VAL . 6.3 mmt180 -114.65 79.88 5.94 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' PRO . . . . . 0.623 ' O ' HG22 ' A' ' 558' ' ' ILE . 72.7 Cg_exo -49.04 -26.19 10.04 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.561 2.174 . . . . 0.0 112.645 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 -22.53 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' HIS . . . . . 0.41 ' O ' ' CE ' ' A' ' 493' ' ' MET . 1.1 t-160 -87.75 -36.08 17.53 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.907 HG13 ' O ' ' A' ' 486' ' ' ARG . 2.6 m -63.93 -42.89 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.302 179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' PHE . . . . . 0.723 ' CE1' HD22 ' A' ' 565' ' ' LEU . 0.0 OUTLIER -53.42 -29.05 33.15 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.042 0.448 . . . . 0.0 110.224 179.339 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.442 ' O ' ' HG2' ' A' ' 495' ' ' LYS . 52.1 t30 -68.3 -52.63 31.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.365 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 476' ' ' TYR . 0.0 OUTLIER -54.33 -30.17 50.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.682 179.605 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 498' ' ' VAL . 3.2 mm? -61.43 -52.63 63.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.985 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . 0.539 ' CB ' HD11 ' A' ' 565' ' ' LEU . 12.3 ptmt -57.81 -26.77 62.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.103 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 499' ' ' ARG . 0.0 OUTLIER -76.18 -43.53 42.14 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.985 0.421 . . . . 0.0 109.898 179.203 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . 0.673 ' CE1' HD23 ' A' ' 473' ' ' LEU . 0.0 OUTLIER -68.92 -31.08 69.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.08 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 494' ' ' LEU . 58.3 t -71.32 -53.08 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.105 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 496' ' ' LYS . 0.0 OUTLIER -54.71 -26.74 35.79 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.438 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' ALA . . . . . . . . . . . . . . . -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.442 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . 0.41 ' HG3' ' HE2' ' A' ' 541' ' ' MET . 0.9 OUTLIER -59.08 -49.41 77.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.42 179.505 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -54.73 -37.34 65.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.672 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -63.04 -35.45 80.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -68.94 -40.32 79.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.599 ' HA ' HD13 ' A' ' 537' ' ' ILE . 7.3 ttm-85 -57.62 -44.8 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.601 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -67.96 -27.93 67.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.616 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.5 -31.91 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.456 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.721 HG21 ' HB3' ' A' ' 533' ' ' HIS . 88.3 m -69.76 -36.45 75.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.67 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 509' ' ' LEU . 0.1 OUTLIER -63.87 -40.5 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.208 179.595 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -57.09 -46.21 82.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.73 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.829 ' O ' HG12 ' A' ' 515' ' ' VAL . 61.9 m80 -54.77 -41.3 70.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 527' ' ' ARG . 0.1 OUTLIER -50.66 -51.58 47.76 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.221 0.534 . . . . 0.0 110.544 179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.32 -34.52 48.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.183 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -58.17 6.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.688 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . 1.064 HG11 HD11 ' A' ' 526' ' ' ILE . 12.3 p -61.17 -26.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -74.44 -23.06 58.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' MET . . . . . . . . . . . . . 60.7 mtm -88.03 -20.0 26.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.578 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 519' ' ' ASP . 15.5 m -114.78 -45.49 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.185 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' ASP . . . . . 0.448 ' N ' HG23 ' A' ' 518' ' ' VAL . 0.4 OUTLIER -121.41 77.41 35.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.05 -53.25 5.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.473 2.115 . . . . 0.0 112.234 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -60.07 -53.04 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.786 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -39.02 88.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.786 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' ALA . . . . . 0.521 ' CB ' HG13 ' A' ' 515' ' ' VAL . . . -53.93 -32.13 52.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' ALA . . . . . 0.462 ' HB3' HE21 ' A' ' 525' ' ' GLN . . . -76.55 -32.49 58.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.871 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . 0.462 HE21 ' HB3' ' A' ' 524' ' ' ALA . 17.3 mm-40 -73.99 -24.83 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 1.064 HD11 HG11 ' A' ' 515' ' ' VAL . 34.0 pt -91.25 -18.24 7.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.679 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' ARG . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 512' ' ' PHE . 3.5 mtp-105 -41.1 -53.61 3.02 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.722 0.296 . . . . 0.0 111.662 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' SER . . . . . . . . . . . . . 3.6 m -57.34 -36.73 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.635 ' O ' HG22 ' A' ' 532' ' ' THR . 0.0 OUTLIER -75.97 -43.52 44.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.309 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 526' ' ' ILE . 21.7 t -60.28 -32.52 51.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.357 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' MET . . . . . 0.595 ' HA ' HD12 ' A' ' 534' ' ' LEU . 33.5 mmt -66.03 -56.72 10.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 529' ' ' GLN . 14.0 t -55.34 -26.99 44.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.0 110.199 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' HIS . . . . . 0.721 ' HB3' HG21 ' A' ' 508' ' ' THR . 1.4 t60 -58.51 -50.44 73.76 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.399 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 531' ' ' MET . 0.4 OUTLIER -61.18 -41.63 97.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.162 0.506 . . . . 0.0 110.159 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -60.95 -42.71 98.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.181 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 532' ' ' THR . 48.1 t -55.25 -38.38 47.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.726 179.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 505' ' ' ARG . 0.6 OUTLIER -56.17 -54.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.504 179.533 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.8 -42.21 50.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.77 -50.24 74.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' ARG . . . . . 0.515 ' CG ' HG13 ' A' ' 536' ' ' VAL . 20.1 mmm180 -58.38 -34.83 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.487 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' MET . . . . . 0.41 ' HE2' ' HG3' ' A' ' 501' ' ' GLU . 25.0 ttm -57.15 -35.83 70.0 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.141 0.496 . . . . 0.0 110.158 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -70.01 -31.85 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.516 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -65.98 -40.18 91.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.502 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.683 ' HA ' HD12 ' A' ' 547' ' ' LEU . 9.6 t -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.409 ' O ' ' CD2' ' A' ' 549' ' ' TYR . 19.3 mt -63.91 -28.05 69.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 549' ' ' TYR . 4.7 m -77.02 -36.25 56.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.138 0.494 . . . . 0.0 110.102 179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.683 HD12 ' HA ' ' A' ' 544' ' ' SER . 26.5 mt -61.54 -35.04 76.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.429 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -87.68 -31.14 19.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.857 179.434 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' TYR . . . . . 0.923 ' N ' HD13 ' A' ' 548' ' ' LEU . 1.6 m-85 -54.41 -24.12 18.61 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . 0.405 ' O ' ' HD2' ' A' ' 552' ' ' PRO . 50.3 m-80 -47.3 -28.94 2.19 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 2.8 t -104.42 76.71 0.28 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.723 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . 0.405 ' HD2' ' O ' ' A' ' 550' ' ' ASN . 4.0 Cg_endo -47.27 -29.29 9.23 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.722 2.281 . . . . 0.0 112.532 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -69.43 -50.4 46.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' VAL . . . . . . . . . . . . . 99.2 t -79.77 -44.44 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.646 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . 0.827 ' HA ' HD21 ' A' ' 548' ' ' LEU . . . -50.04 -33.88 19.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.454 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.93 -50.83 25.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.86 -46.28 90.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 487' ' ' PRO . 2.5 pp -68.34 -36.39 74.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.601 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -59.13 -39.61 82.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.775 0.321 . . . . 0.0 111.124 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -54.9 32.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.87 -29.35 64.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.299 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 558' ' ' ILE . 16.0 t -71.25 -47.69 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.47 -29.62 69.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.608 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.538 ' HA ' ' HG2' ' A' ' 567' ' ' GLN . 1.2 mm-40 -79.88 -24.07 41.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' LEU . . . . . 0.723 HD22 ' CE1' ' A' ' 491' ' ' PHE . 0.0 OUTLIER -82.08 -36.22 27.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 5.9 mt -86.79 -23.35 25.42 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' A' ' 564' ' ' GLU . 0.8 OUTLIER -66.53 -59.37 3.7 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.8 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.3 65.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.969 -179.947 . . . . . . . . 0 0 . 1 stop_ save_